Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
SMILES	Brc1nc2ccccc2nc1Br
InChI Key	VBZDMKSVSNFQSG-UHFFFAOYSA-N
Molecular Formula	C8H4Br2N2
Exact Mass	287.939 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VBZDMKSVSNFQSG-UHFFFAOYSA-N/CHMO0000470.3
License URL
Source	https://www.chemotion-repository.net/inchikey/VBZDMKSVSNFQSG-UHFFFAOYSA-N/CHMO0000470.3
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:49:05.814926
MetadataModified	2024-09-08T01:49:05.814931
MetadataPublished	2023-11-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1128076	SureChEMBL
16146509	PubChem: Thomson Pharma
CB81568747	ChemicalBook
ZINC000032272224	ZINC
DTXSID10347771	EPA CompTox Dashboard
625637	PubChem
J591.326H	Nikkaji
The data in this table is sourced from UniChem at EBI.