CID 58443246

1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H8FNO3
SMILES
C1=CC(=CC=C1N2C=C(C=CC2=O)C(=O)O)F
InChI
InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h1-7H,(H,16,17)
InChIKey
WYHVPAFGLHOYDD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

233.04883 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05611 145.5
[M+Na]+ 256.03805 155.6
[M-H]- 232.04155 149.3
[M+NH4]+ 251.08265 161.4
[M+K]+ 272.01199 151.6
[M+H-H2O]+ 216.04609 137.2
[M+HCOO]- 278.04703 166.7
[M+CH3COO]- 292.06268 187.7
[M+Na-2H]- 254.02350 150.4
[M]+ 233.04828 145.0
[M]- 233.04938 145.0
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

patents stripe