CID 2777397
5-chloro-1,3-dimethylpyrazole-4-carboxaldehyde
Structural Information
- Molecular Formula
- C6H7ClN2O
- SMILES
- CC1=NN(C(=C1C=O)Cl)C
- InChI
- InChI=1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
- InChIKey
- SZRSMNYUEXXEBL-UHFFFAOYSA-N
- Compound name
- 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.03197 | 127.9 |
[M+Na]+ | 181.01391 | 140.3 |
[M-H]- | 157.01741 | 129.7 |
[M+NH4]+ | 176.05851 | 149.5 |
[M+K]+ | 196.98785 | 137.2 |
[M+H-H2O]+ | 141.02195 | 122.4 |
[M+HCOO]- | 203.02289 | 147.2 |
[M+CH3COO]- | 217.03854 | 176.2 |
[M+Na-2H]- | 178.99936 | 132.6 |
[M]+ | 158.02414 | 131.9 |
[M]- | 158.02524 | 131.9 |