CID 62949006
2-chloro-4-(methylsulfanyl)benzonitrile
Structural Information
- Molecular Formula
- C8H6ClNS
- SMILES
- CSC1=CC(=C(C=C1)C#N)Cl
- InChI
- InChI=1S/C8H6ClNS/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
- InChIKey
- GYENKVXDBQJXND-UHFFFAOYSA-N
- Compound name
- 2-chloro-4-methylsulfanylbenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.99823 | 137.3 |
[M+Na]+ | 205.98017 | 150.2 |
[M-H]- | 181.98367 | 142.2 |
[M+NH4]+ | 201.02477 | 157.5 |
[M+K]+ | 221.95411 | 145.4 |
[M+H-H2O]+ | 165.98821 | 127.0 |
[M+HCOO]- | 227.98915 | 149.6 |
[M+CH3COO]- | 242.00480 | 191.9 |
[M+Na-2H]- | 203.96562 | 140.8 |
[M]+ | 182.99040 | 136.4 |
[M]- | 182.99150 | 136.4 |
Literature stripe
No literature data available for this compound.