CID 2113961

5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C14H9FN2O3
SMILES
CN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C14H9FN2O3/c1-17-7-9(4-8(6-16)14(17)20)13(19)11-5-10(15)2-3-12(11)18/h2-5,7,18H,1H3
InChIKey
SGTSCHIAZHARNC-UHFFFAOYSA-N
Compound name
5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.05972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06700 158.9
[M+Na]+ 295.04894 171.1
[M-H]- 271.05244 161.6
[M+NH4]+ 290.09354 171.7
[M+K]+ 311.02288 165.9
[M+H-H2O]+ 255.05698 144.1
[M+HCOO]- 317.05792 175.7
[M+CH3COO]- 331.07357 208.0
[M+Na-2H]- 293.03439 160.5
[M]+ 272.05917 154.1
[M]- 272.06027 154.1
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

No patent data available for this compound.