CID 2775746
175137-36-7
Structural Information
- Molecular Formula
- C11H5ClF3N3O3
- SMILES
- C1=CC(=CC=C1N2C(=C(C=N2)C(=O)Cl)C(F)(F)F)[N+](=O)[O-]
- InChI
- InChI=1S/C11H5ClF3N3O3/c12-10(19)8-5-16-17(9(8)11(13,14)15)6-1-3-7(4-2-6)18(20)21/h1-5H
- InChIKey
- PDHQPPLHVFKVOQ-UHFFFAOYSA-N
- Compound name
- 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 320.00444 | 160.2 |
[M+Na]+ | 341.98638 | 169.8 |
[M-H]- | 317.98988 | 161.3 |
[M+NH4]+ | 337.03098 | 173.5 |
[M+K]+ | 357.96032 | 161.0 |
[M+H-H2O]+ | 301.99442 | 155.1 |
[M+HCOO]- | 363.99536 | 174.8 |
[M+CH3COO]- | 378.01101 | 196.4 |
[M+Na-2H]- | 339.97183 | 165.0 |
[M]+ | 318.99661 | 158.0 |
[M]- | 318.99771 | 158.0 |
Literature stripe
No literature data available for this compound.