Dataset

Bisperfluorodecyl phosphate; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA292306 contains the MS2 mass spectrum of Bisperfluorodecyl phosphate with the InChIkey AFWOYEYXUDHGHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
SMILES FC(F)(CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key AFWOYEYXUDHGHF-UHFFFAOYSA-N
Molecular Formula C20H9F34O4P
Exact Mass 989.970 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA292306
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MetadataPublished 2014-01-14
Related Molecule
  • bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83540 chebi
    5550818 surechembl
    3022253 pubchem
    EVR4R3G17M fdasrs
    Molport-006-112-252 molport
    The data in this table is sourced from UniChem at EBI.