Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
SMILES	Brc1nc2ccccc2nc1c1ccccc1
InChI Key	VSSFGRBIDNAUHK-UHFFFAOYSA-N
Molecular Formula	C14H9BrN2
Exact Mass	285.139 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/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000470.3
License URL
Source	https://www.chemotion-repository.net/inchikey/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000470.3
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:45:53.484337
MetadataModified	2024-09-08T01:45:53.484343
MetadataPublished	2023-11-02

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL17548842	SureChEMBL
118909215	PubChem
The data in this table is sourced from UniChem at EBI.