CID 17859825
3-chloro-2-fluorothioanisole
Structural Information
- Molecular Formula
- C7H6ClFS
- SMILES
- CSC1=C(C(=CC=C1)Cl)F
- InChI
- InChI=1S/C7H6ClFS/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
- InChIKey
- BKBZGYSOFAPDJC-UHFFFAOYSA-N
- Compound name
- 1-chloro-2-fluoro-3-methylsulfanylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.99356 | 126.8 |
[M+Na]+ | 198.97550 | 137.8 |
[M-H]- | 174.97900 | 130.1 |
[M+NH4]+ | 194.02010 | 149.1 |
[M+K]+ | 214.94944 | 133.3 |
[M+H-H2O]+ | 158.98354 | 122.0 |
[M+HCOO]- | 220.98448 | 141.1 |
[M+CH3COO]- | 235.00013 | 178.1 |
[M+Na-2H]- | 196.96095 | 130.4 |
[M]+ | 175.98573 | 129.6 |
[M]- | 175.98683 | 129.6 |
Literature stripe
No literature data available for this compound.