CID 3813610
3-(phenylsulfanyl)pyridine
Structural Information
- Molecular Formula
- C11H9NS
- SMILES
- C1=CC=C(C=C1)SC2=CN=CC=C2
- InChI
- InChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
- InChIKey
- ONBQLBVFTYYJJR-UHFFFAOYSA-N
- Compound name
- 3-phenylsulfanylpyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 188.05286 | 136.1 |
[M+Na]+ | 210.03480 | 144.9 |
[M-H]- | 186.03830 | 141.8 |
[M+NH4]+ | 205.07940 | 155.0 |
[M+K]+ | 226.00874 | 140.5 |
[M+H-H2O]+ | 170.04284 | 128.9 |
[M+HCOO]- | 232.04378 | 155.3 |
[M+CH3COO]- | 246.05943 | 149.6 |
[M+Na-2H]- | 208.02025 | 142.7 |
[M]+ | 187.04503 | 136.9 |
[M]- | 187.04613 | 136.9 |