Dataset

Perfluorohexanoic acid; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA271551 contains the MS2 mass spectrum of Perfluorohexanoic acid with the InChIkey PXUULQAPEKKVAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
SMILES O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key PXUULQAPEKKVAH-UHFFFAOYSA-N
Molecular Formula C6HF11O2
Exact Mass 313.980 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA271551
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MetadataPublished 2014-01-14
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83492 chebi
    CHEMBL3183213 chembl
    62447 surechembl
    67542 pubchem
    PD167689 probes_and_drugs
    ZP34Q2220R fdasrs
    HMDB0256324 hmdb
    The data in this table is sourced from UniChem at EBI.