Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2 |
---|---|
SMILES | BrCc1ccc(c(c1)Br)CBr |
InChI Key | QOTLBTLQTHPRIW-UHFFFAOYSA-N |
Molecular Formula | C8H7Br3 |
Exact Mass | 342.853 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:28:26.279208 |
MetadataModified | 2024-09-08T03:28:26.279213 |
MetadataPublished | 2024-05-21 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
19900-52-8 | ACToR |
262239 | PubChem |
7415970 | eMolecules |
ZINC000001621359 | ZINC |
DTXSID70294272 | EPA CompTox Dashboard |
CB93204327 | ChemicalBook |
VEJRAF | CCDC |
J3.165.921C | Nikkaji |
SCHEMBL3373171 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |