Dataset

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl dihydrogen phosphate; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013949 contains the MS2 mass spectrum of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl dihydrogen phosphate with the InChIkey MIABSAQIFYEDJP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)
SMILES C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key MIABSAQIFYEDJP-UHFFFAOYSA-N
Molecular Formula C10H6F17O4P
Exact Mass 543.973 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013949
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10143739 PubChem
    36758965 eMolecules
    15134926 PubChem: Thomson Pharma
    SCHEMBL4480150 SureChEMBL
    DTXSID60874027 EPA CompTox Dashboard
    ZINC000072400093 ZINC
    83541 ChEBI
    J1.069.568F Nikkaji
    The data in this table is sourced from UniChem at EBI.