Dataset

PFECHS; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01146851 contains the MS2 mass spectrum of PFECHS with the InChIkey ICKAEAFPESRWOT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)
SMILES C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI Key ICKAEAFPESRWOT-UHFFFAOYSA-N
Molecular Formula C8HF15O3S
Exact Mass 461.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01146851
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MetadataPublished 2024-05-15
Related Molecule
  • 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    316953 surechembl
    101650 pubchem
    The data in this table is sourced from UniChem at EBI.