Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C6H2Br2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H
SMILES	Brc1cc([N+](=O)[O-])c(cc1Br)[N+](=O)[O-]
InChI Key	DOPFANUPBFALEA-UHFFFAOYSA-N
Molecular Formula	C6H2Br2N2O4
Exact Mass	325.899 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DOPFANUPBFALEA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DOPFANUPBFALEA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-08T03:07:07.467969
MetadataModified	2025-03-09T03:16:18.500991
MetadataPublished	2025-03-07
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12196943	PubChem
SCHEMBL2249179	SureChEMBL
ZINC000118429476	ZINC
The data in this table is sourced from UniChem at EBI.