Perfluoro-1-hexanesulfonic acid (PFHxS)

enlarge

Systematic / IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid

ID: Reference2748

Other Names: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid;
1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-;
Perfluorohexane-1-sulphonic acid;
Perfluorohexanesulfonic acid;
PFHS

Formula: C6HF13O3S

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

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 494
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 3/29/2018 7:53:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
InChI Key QZHDEAJFRJCDMF-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
CAS 355464
Splash
Other Names 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid;
1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-;
Perfluorohexane-1-sulphonic acid;
Perfluorohexanesulfonic acid;
PFHS

In Other Databases

ChemIDPlus 000355464; 003871996; 055120779
PubChem 67734
ChEMBL CHEMBL1906987
ChemSpider 61053