CID 7130847

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

Structural Information

Molecular Formula
C12H9FN2O3
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C12H9FN2O3/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
OWVLQYNNEXUSHO-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

248.05972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06700 150.4
[M+Na]+ 271.04894 161.3
[M-H]- 247.05244 153.0
[M+NH4]+ 266.09354 164.5
[M+K]+ 287.02288 157.1
[M+H-H2O]+ 231.05698 141.4
[M+HCOO]- 293.05792 170.2
[M+CH3COO]- 307.07357 191.8
[M+Na-2H]- 269.03439 154.5
[M]+ 248.05917 150.7
[M]- 248.06027 150.7
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