Dataset

Perfluorohexane sulfonic acid (PFHxS); LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU595750 contains the MS2 mass spectrum of Perfluorohexane sulfonic acid (PFHxS) with the InChIkey QZHDEAJFRJCDMF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
SMILES C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI Key QZHDEAJFRJCDMF-UHFFFAOYSA-N
Molecular Formula C6HF13O3S
Exact Mass 399.944 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-Athens_Univ-AU595750
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MetadataPublished 2020-04-11
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:132448 chebi
    CHEMBL1906987 chembl
    332726 surechembl
    67734 pubchem
    PD167508 probes_and_drugs
    217255 brenda
    256551 brenda
    ZU6Y1E592S fdasrs
    The data in this table is sourced from UniChem at EBI.