CID 163896
112959-91-8
Structural Information
- Molecular Formula
- C11H7Cl2N3O3
- SMILES
- C1=C(C=C(C=C1Cl)Cl)N2C(=C(C=N2)C(=O)O)C(=O)N
- InChI
- InChI=1S/C11H7Cl2N3O3/c12-5-1-6(13)3-7(2-5)16-9(10(14)17)8(4-15-16)11(18)19/h1-4H,(H2,14,17)(H,18,19)
- InChIKey
- QMLGLVQFSZLQBQ-UHFFFAOYSA-N
- Compound name
- 5-carbamoyl-1-(3,5-dichlorophenyl)pyrazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.99373 | 160.0 |
[M+Na]+ | 321.97567 | 170.7 |
[M-H]- | 297.97917 | 163.0 |
[M+NH4]+ | 317.02027 | 174.5 |
[M+K]+ | 337.94961 | 164.9 |
[M+H-H2O]+ | 281.98371 | 153.6 |
[M+HCOO]- | 343.98465 | 171.7 |
[M+CH3COO]- | 358.00030 | 199.5 |
[M+Na-2H]- | 319.96112 | 159.8 |
[M]+ | 298.98590 | 162.6 |
[M]- | 298.98700 | 162.6 |
Literature stripe
No literature data available for this compound.