Dataset

Bisperfluorooctyl phosphate; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA292212 contains the MS2 mass spectrum of Bisperfluorooctyl phosphate with the InChIkey ZDYYWMSLMLTXDM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)
SMILES FC(F)(CCOP(=O)(OCCC(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)F
InChI Key ZDYYWMSLMLTXDM-UHFFFAOYSA-N
Molecular Formula C16H9F26O4P
Exact Mass 789.982 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-EA292212
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MetadataPublished 2014-01-14
Related Molecule
  • bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83539 chebi
    6158577 surechembl
    14550408 pubchem
    KL1LI0INZD fdasrs
    Molport-046-688-897 molport
    The data in this table is sourced from UniChem at EBI.