Perfluoro-6-methylheptanesulfonic acid

enlarge

Systematic / IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,7,7,7-Tetradecafluoro-6-(trifluoromethyl)heptane-1-sulfonic acid

ID: Reference13266

Other Names: isoPFOS;
AA-1597

Formula: C8HF17O3S

Class: Perfluorinated Hydrocarbons

Spectral Data

Perfluoro-6-methylheptanesulfonic acid 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2024 1:49:05 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15)5(16,17)8(24,25)29(26,27)28/h(H,26,27,28)
InChI Key NIKYAXWJPSOKTP-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
CAS
Splash
Other Names isoPFOS;
AA-1597

In Other Databases

PubChem 44147115