Dataset

4`-Bromacetanilide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM825601 contains the MS2 mass spectrum of 4`-Bromacetanilide with the InChIkey MSLICLMCQYQNPK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)NC1=CC=C(Br)C=C1
InChI Key MSLICLMCQYQNPK-UHFFFAOYSA-N
Molecular Formula C8H8BrNO
Exact Mass 212.979 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-CASMI_2016-SM825601
Version
Author
Maintainer
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MetadataPublished 2016-12-12
Related Molecule
  • N-(4-bromophenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    IJX rcsb_pdb
    CHEMBL59019 chembl
    9674 surechembl
    7683 pubchem
    4KB44F25A3 fdasrs
    BRACTN CCDC
    126683 brenda
    128790 brenda
    145743 brenda
    145744 brenda
    IJX - Ideal conformer pdbe
    Molport-000-150-450 molport
    The data in this table is sourced from UniChem at EBI.