Dataset
![molecular Image]()
electron ionisation mass spectrometry (EI-MS)
Chemical Info
| InChI | InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2 |
|---|---|
| SMILES | BrCc1c(CBr)c(CBr)c(c(c1CBr)CBr)CBr |
| InChI Key | XJOUCILNLRXRTF-UHFFFAOYSA-N |
| Molecular Formula | C12H12Br6 |
| Exact Mass | 635.648 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/XJOUCILNLRXRTF-UHFFFAOYSA-N/Mass/EI |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/XJOUCILNLRXRTF-UHFFFAOYSA-N/Mass/EI |
| Version | |
| Author | Isabelle Wessely |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T23:57:31.898750 |
| MetadataModified | 2024-09-07T13:22:24.719851 |
| MetadataPublished | 2014-05-27 |
| Field | Value |
|---|---|
| Measurement Technique | electron ionisation mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HBMEBZ | CCDC |
| CB8492250 | ChemicalBook |
| J217.268B | Nikkaji |
| 503673 | eMolecules |
| 3095-73-6 | ACToR |
| SCHEMBL36987 | SureChEMBL |
| 16200234 | PubChem: Thomson Pharma |
| 76540 | PubChem |
| ZINC000095100328 | ZINC |
| DTXSID70184927 | EPA CompTox Dashboard |
| MCULE-9917707545 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |