CID 3067925
5-isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
Structural Information
- Molecular Formula
- C11H5ClF3NO2S
- SMILES
- C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=C2Cl)C(=O)O
- InChI
- InChI=1S/C11H5ClF3NO2S/c12-7-8(16-19-9(7)10(17)18)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H,17,18)
- InChIKey
- DBCPIXQDLSSYSQ-UHFFFAOYSA-N
- Compound name
- 4-chloro-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.97545 | 157.6 |
[M+Na]+ | 329.95739 | 169.1 |
[M-H]- | 305.96089 | 159.2 |
[M+NH4]+ | 325.00199 | 174.1 |
[M+K]+ | 345.93133 | 162.8 |
[M+H-H2O]+ | 289.96543 | 149.8 |
[M+HCOO]- | 351.96637 | 166.3 |
[M+CH3COO]- | 365.98202 | 195.8 |
[M+Na-2H]- | 327.94284 | 157.0 |
[M]+ | 306.96762 | 158.5 |
[M]- | 306.96872 | 158.5 |
Literature stripe
No literature data available for this compound.