Dataset

Bisphenol AF; LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120125 contains the MS2 mass spectrum of Bisphenol AF with the InChIkey ZFVMWEVVKGLCIJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O
InChI Key ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
Molecular Formula C15H10F6O2
Exact Mass 336.058 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-Antwerp_Univ-AN120125
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Maintainer
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MetadataPublished 2021-08-11
Related Molecule
  • 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:72754 chebi
    0CZ rcsb_pdb
    CHEMBL1900054 chembl
    21027 surechembl
    3686864 surechembl
    73864 pubchem
    OH7IX8A37J fdasrs
    TIBVOQ CCDC
    HMDB0249276 hmdb
    Molport-000-151-559 molport
    50544707 bindingdb
    The data in this table is sourced from UniChem at EBI.