Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2 |
---|---|
SMILES | Nc1cc(Br)c(cc1N)Br |
InChI Key | TTXGKCVKGXHPRI-UHFFFAOYSA-N |
Molecular Formula | C6H6Br2N2 |
Exact Mass | 265.933 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000470.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000470.1 |
Version | |
Author | Victor Larignon |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:47:47.137595 |
MetadataModified | 2024-09-08T01:47:47.137601 |
MetadataPublished | 2023-11-02 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
12196944 | PubChem |
J89.535K | Nikkaji |
SCHEMBL2244271 | SureChEMBL |
36729943 | eMolecules |
50129817 | PubChem: Thomson Pharma |
ZINC000000404580 | ZINC |
DTXSID30480013 | EPA CompTox Dashboard |
CB02502812 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |