Perfluoro-3-methylheptanesulfonic acid

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

ID: Reference13265

Other Names: AA-1596;
3mPFOS

Formula: C8HF17O3S

Class: Perfluorinated Hydrocarbons

Spectral Data

Perfluoro-3-methylheptanesulfonic acid 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 430
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2024 1:48:25 PM
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Identificators

InChI InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11)4(14,15)5(16,17)7(21,22)23/h(H,26,27,28)
InChI Key CCEVPOURSCMDRL-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)F
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Other Names AA-1596;
3mPFOS

In Other Databases

PubChem 102175775