Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H |
|---|---|
| SMILES | Clc1cnc2c(n1)cccc2 |
| InChI Key | BYHVGQHIAFURIL-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClN2 |
| Exact Mass | 164.592 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/BYHVGQHIAFURIL-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/BYHVGQHIAFURIL-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Jérôme Klein |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T02:25:58.500584 |
| MetadataModified | 2024-09-07T16:57:45.759509 |
| MetadataPublished | 2020-02-21 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 481091 | eMolecules |
| CB6182221 | ChemicalBook |
| 227908 | Brenda |
| ZINC000000388228 | ZINC |
| MCULE-5828586417 | Mcule |
| GOLYAI | CCDC |
| HMDB0245081 | Human Metabolome Database |
| J298.633G | Nikkaji |
| 1448-87-9 | ACToR |
| 238938 | PubChem |
| SCHEMBL222284 | SureChEMBL |
| 16130175 | PubChem: Thomson Pharma |
| E9X60Z79BG | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |