Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H
SMILES Clc1cnc2c(n1)c(Br)ccc2Br
InChI Key YOSSYSHCLUXFPJ-UHFFFAOYSA-N
Exact Mass 322.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YOSSYSHCLUXFPJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/YOSSYSHCLUXFPJ-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 5,8-dibromo-2-chloroquinoxaline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000220575796 ZINC
    89350881 PubChem
    SCHEMBL14486329 SureChEMBL
    The data in this table is sourced from UniChem at EBI.