Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
SMILES BrCc1ccc(cc1)C#N
InChI Key UMLFTCYAQPPZER-UHFFFAOYSA-N
Molecular Formula C8H6BrN
Exact Mass 196.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMLFTCYAQPPZER-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/UMLFTCYAQPPZER-UHFFFAOYSA-N/Mass
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-12
Related Molecule
  • 4-(bromomethyl)benzonitrile
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    531 surechembl
    86996 pubchem
    RV332B84ZG fdasrs
    Molport-000-871-738 molport
    The data in this table is sourced from UniChem at EBI.