Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H12BrN/c18-17-7-5-15(6-8-17)13-1-3-14(4-2-13)16-9-11-19-12-10-16/h1-12H
SMILES Brc1ccc(cc1)c1ccc(cc1)c1ccncc1
InChI Key ZPHXKZGHHQXZKZ-UHFFFAOYSA-N
Molecular Formula C17H12BrN
Exact Mass 310.188 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPHXKZGHHQXZKZ-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ZPHXKZGHHQXZKZ-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • 4-[4-(4-bromophenyl)phenyl]pyridine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427484 PubChem
    The data in this table is sourced from UniChem at EBI.