CID 4962426

1-(2-chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C12H9ClN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18)
InChIKey
IGJQBQIOIRRZIL-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

264.03018 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.037456 152.4
[M+Na]+ 287.019398 163.9
[M-H]- 263.022904 156.2
[M+NH4]+ 282.064003 166.8
[M+K]+ 302.993338 158.7
[M+H-H2O]+ 247.027440 145.0
[M+HCOO]- 309.028381 168.6
[M+CH3COO]- 323.044031 192.8
[M+Na-2H]- 285.004846 156.7
[M]+ 264.02963142 155.9
[M]- 264.03072858 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe