Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H10Br2N2/c13-11-5-1-3-9(15-11)7-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2
SMILES Brc1cccc(n1)CCc1cccc(n1)Br
InChI Key AEZGGXCUYLBMSI-UHFFFAOYSA-N
Molecular Formula C12H10Br2N2
Exact Mass 342.029 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AEZGGXCUYLBMSI-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/AEZGGXCUYLBMSI-UHFFFAOYSA-N/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • 2-bromo-6-[2-(6-bromopyridin-2-yl)ethyl]pyridine
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85704962 PubChem
    J777.157F Nikkaji
    The data in this table is sourced from UniChem at EBI.