Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C13H12BrN/c1-9-8-13(14)10(2)7-12(9)11-3-5-15-6-4-11/h3-8H,1-2H3
SMILES	Cc1cc(Br)c(cc1c1ccncc1)C
InChI Key	MCBUGWWQHDDTDA-UHFFFAOYSA-N
Molecular Formula	C13H12BrN
Exact Mass	262.145 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MCBUGWWQHDDTDA-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/MCBUGWWQHDDTDA-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:22:50.244796
MetadataModified	2024-09-07T18:15:34.450160
MetadataPublished	2020-06-24

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58078134	PubChem
SCHEMBL10111223	SureChEMBL
The data in this table is sourced from UniChem at EBI.