Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H8BrFN2/c14-9-5-6-13-16-12(8-17(13)7-9)10-3-1-2-4-11(10)15/h1-8H
SMILES	Brc1ccc2n(c1)cc(n2)c1ccccc1F
InChI Key	WIERVJWCSZUKSW-UHFFFAOYSA-N
Molecular Formula	C13H8BrFN2
Exact Mass	291.118 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:31:36.311230
MetadataModified	2024-09-08T00:31:11.023615
MetadataPublished	2023-03-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
78909046	PubChem
ZINC000076535434	ZINC
The data in this table is sourced from UniChem at EBI.