CID 248063
4-chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
Structural Information
- Molecular Formula
- C6H4ClF3N2S
- SMILES
- CSC1=NC(=CC(=N1)Cl)C(F)(F)F
- InChI
- InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
- InChIKey
- GOORQLLDZBAQIW-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.98087 | 136.2 |
[M+Na]+ | 250.96281 | 148.1 |
[M-H]- | 226.96631 | 134.2 |
[M+NH4]+ | 246.00741 | 153.7 |
[M+K]+ | 266.93675 | 143.1 |
[M+H-H2O]+ | 210.97085 | 128.1 |
[M+HCOO]- | 272.97179 | 144.6 |
[M+CH3COO]- | 286.98744 | 185.5 |
[M+Na-2H]- | 248.94826 | 139.7 |
[M]+ | 227.97304 | 136.7 |
[M]- | 227.97414 | 136.7 |