Dataset

2-Benzyl-4-chlorophenol; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL23111011960 contains the MS2 mass spectrum of 2-Benzyl-4-chlorophenol with the InChIkey NCKMMSIFQUPKCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
SMILES C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
InChI Key NCKMMSIFQUPKCK-UHFFFAOYSA-N
Molecular Formula C13H11ClO
Exact Mass 218.050 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111011960
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-benzyl-4-chlorophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:228003 chebi
    CHEMBL1328919 chembl
    29377427 surechembl
    78119 surechembl
    8425 pubchem
    7560BB0BO3 fdasrs
    PD014066 probes_and_drugs
    HMDB0245035 hmdb
    DTXSID5020154 comptox
    Molport-000-145-915 molport
    The data in this table is sourced from UniChem at EBI.