Dataset

Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+NH4]+

This MassBank record with Accession MSBNK-Athens_Univ-AU581152 contains the MS2 mass spectrum of Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether with the InChIkey HLLOKZYCSSQYEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H25ClO4/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,23H,11-14H2,1-2H3
SMILES CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC(CCl)O
InChI Key HLLOKZYCSSQYEB-UHFFFAOYSA-N
Molecular Formula C21H25ClO4
Exact Mass 376.144 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-Athens_Univ-AU581152
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MetadataPublished 2019-11-23
Related Molecule
  • 1-chloro-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12987750 surechembl
    4169196 pubchem
    7W5KTO0C7S fdasrs
    Molport-003-938-784 molport
    The data in this table is sourced from UniChem at EBI.