Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15) |
|---|---|
| SMILES | O=c1[nH]c2ccccc2nc1C(F)(F)F |
| InChI Key | NOGLKXWLUDJZDQ-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3N2O |
| Exact Mass | 214.144 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NOGLKXWLUDJZDQ-UHFFFAOYSA-N/CHMO0000470.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NOGLKXWLUDJZDQ-UHFFFAOYSA-N/CHMO0000470.1 |
| Version | |
| Author | Victor Larignon |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T01:48:19.720634 |
| MetadataModified | 2024-09-08T01:48:19.720643 |
| MetadataPublished | 2023-11-02 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J1.375.488H | Nikkaji |
| 252013 | Brenda |
| MCULE-8591204262 | Mcule |
| MolPort-001-844-921 | MolPort |
| MolPort-001-619-725 | MolPort |
| SCHEMBL2131608 | SureChEMBL |
| ZINC000008873813 | ZINC |
| DTXSID50346389 | EPA CompTox Dashboard |
| 50241205 | BindingDB |
| 708512 | eMolecules |
| 1119830 | eMolecules |
| CHEMBL1463512 | ChEMBL |
| 611792 | PubChem |
| 16798597 | PubChem: Thomson Pharma |
| A2J | PDBe |
| The data in this table is sourced from UniChem at EBI. | |