Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Info

InChI	InChI=1S/C10H5Br3N2O2/c11-10(12,13)8-5-4-6-2-1-3-7(15(16)17)9(6)14-8/h1-5H
SMILES	[O-][N+](=O)c1cccc2c1nc(cc2)C(Br)(Br)Br
InChI Key	QLLLYNCAUWNZSY-UHFFFAOYSA-N
Molecular Formula	C10H5Br3N2O2
Exact Mass	424.871 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QLLLYNCAUWNZSY-UHFFFAOYSA-N/CHMO0002541
License URL
Source	https://www.chemotion-repository.net/inchikey/QLLLYNCAUWNZSY-UHFFFAOYSA-N/CHMO0002541
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:15:20.753208
MetadataModified	2024-09-07T21:55:14.910653
MetadataPublished	2022-02-18

Field	Value
Measurement Technique	high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL2042567	ChEMBL
ZINC000084672030	ZINC
70694485	PubChem
The data in this table is sourced from UniChem at EBI.