| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:20:34 UTC |
|---|
| Update Date | 2025-03-24 20:16:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01396246 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H4ClN |
|---|
| Molecular Mass | 101.0032 |
|---|
| SMILES | CC=C(Cl)C#N |
|---|
| InChI Key | WXWINPQHYPNRDX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organohalogen compounds |
|---|
| Class | vinyl halides |
|---|
| Subclass | vinyl chlorides |
|---|
| Direct Parent | vinyl chlorides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | chloroalkeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrilechloroalkeneorganochloridehaloalkeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundvinyl chloridecarbonitrile |
|---|
