Dataset

PFHxPA; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01147903 contains the MS2 mass spectrum of PFHxPA with the InChIkey AGCUFKNHQDVTAD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H2F13O3P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
SMILES C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI Key AGCUFKNHQDVTAD-UHFFFAOYSA-N
Molecular Formula C6H2F13O3P
Exact Mass 399.953 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-EQ01147903
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Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15930820 PubChem
    J2.795.516I Nikkaji
    DTXSID90880439 EPA CompTox Dashboard
    SCHEMBL234703 SureChEMBL
    The data in this table is sourced from UniChem at EBI.