Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C13H12BrN/c1-9-8-13(14)10(2)7-12(9)11-3-5-15-6-4-11/h3-8H,1-2H3
SMILES Cc1cc(Br)c(cc1c1ccncc1)C
InChI Key MCBUGWWQHDDTDA-UHFFFAOYSA-N
Molecular Formula C13H12BrN
Exact Mass 262.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCBUGWWQHDDTDA-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/MCBUGWWQHDDTDA-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-24
Related Molecule
  • 4-(4-bromo-2,5-dimethylphenyl)pyridine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10111223 surechembl
    58078134 pubchem
    The data in this table is sourced from UniChem at EBI.