CID 51042762

1291486-99-1

Structural Information

Molecular Formula
C11H7FN2O3
SMILES
C1=CC(=CC(=C1)F)N2C=CC(=O)C(=N2)C(=O)O
InChI
InChI=1S/C11H7FN2O3/c12-7-2-1-3-8(6-7)14-5-4-9(15)10(13-14)11(16)17/h1-6H,(H,16,17)
InChIKey
OPNZTXSDJDVUGW-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04407 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05135 146.0
[M+Na]+ 257.03329 156.4
[M-H]- 233.03679 148.4
[M+NH4]+ 252.07789 160.3
[M+K]+ 273.00723 152.4
[M+H-H2O]+ 217.04133 136.9
[M+HCOO]- 279.04227 166.1
[M+CH3COO]- 293.05792 187.5
[M+Na-2H]- 255.01874 151.3
[M]+ 234.04352 145.5
[M]- 234.04462 145.5
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.