CID 1830892
27312-94-3
Structural Information
- Molecular Formula
- C16H11ClF3NOS
- SMILES
- C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CCCl
- InChI
- InChI=1S/C16H11ClF3NOS/c17-8-7-15(22)21-11-3-1-2-4-13(11)23-14-6-5-10(9-12(14)21)16(18,19)20/h1-6,9H,7-8H2
- InChIKey
- FXICIRYKSSFPAZ-UHFFFAOYSA-N
- Compound name
- 3-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.02748 | 173.1 |
[M+Na]+ | 380.00942 | 183.3 |
[M-H]- | 356.01292 | 173.0 |
[M+NH4]+ | 375.05402 | 188.4 |
[M+K]+ | 395.98336 | 175.9 |
[M+H-H2O]+ | 340.01746 | 164.3 |
[M+HCOO]- | 402.01840 | 177.3 |
[M+CH3COO]- | 416.03405 | 210.3 |
[M+Na-2H]- | 377.99487 | 176.0 |
[M]+ | 357.01965 | 174.2 |
[M]- | 357.02075 | 174.2 |
Literature stripe
No literature data available for this compound.