CID 4962738
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxylic acid
Structural Information
- Molecular Formula
- C13H9F3N2O3
- SMILES
- CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C13H9F3N2O3/c1-7-5-10(19)11(12(20)21)17-18(7)9-4-2-3-8(6-9)13(14,15)16/h2-6H,1H3,(H,20,21)
- InChIKey
- XINSQSOKQMDVOU-UHFFFAOYSA-N
- Compound name
- 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.06380 | 161.5 |
[M+Na]+ | 321.04574 | 172.5 |
[M-H]- | 297.04924 | 161.5 |
[M+NH4]+ | 316.09034 | 173.6 |
[M+K]+ | 337.01968 | 167.6 |
[M+H-H2O]+ | 281.05378 | 150.9 |
[M+HCOO]- | 343.05472 | 177.1 |
[M+CH3COO]- | 357.07037 | 200.0 |
[M+Na-2H]- | 319.03119 | 164.6 |
[M]+ | 298.05597 | 159.2 |
[M]- | 298.05707 | 159.2 |