Perfluorooctanoic acid (PFOA)

enlarge

Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid

ID: Reference1570

Other Names: Pentadecafluorooctanoic acid;
Perfluorocaprylic acid;
Octanoic acid, pentadecafluoro-;
Perfluoroheptanecarboxylic acid;
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-

Formula: C8HF15O2

Class: Extractables/Leachables Industrial Chemicals Perfluorinated Hydrocarbons

Spectral Data

Perfluorooctanoic acid (PFOA) 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 LTQ Orbitrap XL; Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 390
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 9/26/2019 7:07:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChI Key SNGREZUHAYWORS-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 335671
Splash
Other Names Pentadecafluorooctanoic acid;
Perfluorocaprylic acid;
Octanoic acid, pentadecafluoro-;
Perfluoroheptanecarboxylic acid;
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-;
Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-

In Other Databases

ChemIDPlus 000335671; 000335955; 000335933; 068141026
ChEBI CHEBI:35549
ChemSpider 9180
HMDb HMDB59587
ChEMBL CHEMBL172988
PubChem 9554
Wikipedia Perfluorooctanoic acid