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

12
Patents

233.04883 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.056106 145.5
[M+Na]+ 256.038048 155.6
[M-H]- 232.041554 149.3
[M+NH4]+ 251.082653 161.4
[M+K]+ 272.011988 151.6
[M+H-H2O]+ 216.046090 137.2
[M+HCOO]- 278.047031 166.7
[M+CH3COO]- 292.062681 187.7
[M+Na-2H]- 254.023496 150.4
[M]+ 233.04828142 145.0
[M]- 233.04937858 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