Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C11H8Br2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H |
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SMILES | BrC(c1ccc2c(c1)cccc2)Br |
InChI Key | MJZLPJYZFMSVDU-UHFFFAOYSA-N |
Molecular Formula | C11H8Br2 |
Exact Mass | 299.989 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MJZLPJYZFMSVDU-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:46:45.715520 |
MetadataModified | 2024-09-08T03:46:45.715526 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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11150720 | PubChem |
SCHEMBL1538959 | SureChEMBL |
16229415 | PubChem: Thomson Pharma |
DTXSID40457054 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |