Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01166753 contains the MS2 mass spectrum of HPFO-HxA with the InChIkey ANKSFLDOVZNXOJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18HF35O7/c19-2(1(54)55,8(26,27)28)56-15(46,47)4(22,10(32,33)34)58-17(50,51)6(24,12(38,39)40)60-18(52,53)7(25,13(41,42)43)59-16(48,49)5(23,11(35,36)37)57-14(44,45)3(20,21)9(29,30)31/h(H,54,55)
SMILES C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O
InChI Key ANKSFLDOVZNXOJ-UHFFFAOYSA-N
Molecular Formula C18HF35O7
Exact Mass 993.916 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-EQ01166753
Version
Author
Maintainer
Language
MetadataPublished 2024-05-15
Related Molecule
  • 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID20892444 EPA CompTox Dashboard
    74765529 PubChem
    SCHEMBL9960288 SureChEMBL
    The data in this table is sourced from UniChem at EBI.