Perfluoro-1-octanesulfonic acid (PFOS)

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Systematic / IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonic acid

ID: Reference2749

Other Names: Eftop EF 101;
Floral FC 95;
Fluorad FC 95;
PFOS;
1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid ; more

Formula: C8HF17O3S

Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Perfluorinated Hydrocarbons

Spectral Data

Perfluoro-1-octanesulfonic acid (PFOS) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 7
No. of Spectra 872
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 3/29/2018 7:53:58 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
InChI Key YFSUTJLHUFNCNZ-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
CAS 1763231
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Other Names Eftop EF 101;
Floral FC 95;
Fluorad FC 95;
PFOS;
1,1,2,2,3,3,4, 4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid;
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octane-1-sulfonic acid;
1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-;
1-Perfluorooctanesulfonic acid;
Heptadecafluoro-1-octanesulfonic acid;
Heptadecafluorooctane-1-sulfonic acid;
Heptadecafluorooctane-1-sulphonic acid;
Heptadecafluorooctanesulfonic acid;
Perfluorooctanesulfonic acid;
Perfluorooctylsulfonic acid

In Other Databases

ChemSpider 67068
Wikipedia Perfluorooctanesulfonic acid
PubChem 74483
HMDb HMDB59586
ChemIDPlus 001763231; 002795393; 029457725
ChEBI CHEBI:39421
KEGG C18142