CID 12631923
2-(1-benzothiophen-2-yl)acetonitrile
Structural Information
- Molecular Formula
- C10H7NS
- SMILES
- C1=CC=C2C(=C1)C=C(S2)CC#N
- InChI
- InChI=1S/C10H7NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5H2
- InChIKey
- SPJJYCYYBXUZCP-UHFFFAOYSA-N
- Compound name
- 2-(1-benzothiophen-2-yl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 174.03720 | 142.0 |
[M+Na]+ | 196.01914 | 155.8 |
[M-H]- | 172.02264 | 147.4 |
[M+NH4]+ | 191.06374 | 164.1 |
[M+K]+ | 211.99308 | 150.1 |
[M+H-H2O]+ | 156.02718 | 130.6 |
[M+HCOO]- | 218.02812 | 159.8 |
[M+CH3COO]- | 232.04377 | 155.5 |
[M+Na-2H]- | 194.00459 | 146.7 |
[M]+ | 173.02937 | 140.9 |
[M]- | 173.03047 | 140.9 |