CID 16228356

1-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
C1CC(=O)N(N=C1C(=O)O)C2=CC=CC=C2F
InChI
InChI=1S/C11H9FN2O3/c12-7-3-1-2-4-9(7)14-10(15)6-5-8(13-14)11(16)17/h1-4H,5-6H2,(H,16,17)
InChIKey
GTLCODJHVHUOAG-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06700 148.6
[M+Na]+ 259.04894 156.9
[M-H]- 235.05244 150.2
[M+NH4]+ 254.09354 162.7
[M+K]+ 275.02288 153.4
[M+H-H2O]+ 219.05698 139.5
[M+HCOO]- 281.05792 165.8
[M+CH3COO]- 295.07357 188.1
[M+Na-2H]- 257.03439 151.9
[M]+ 236.05917 145.2
[M]- 236.06027 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.