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 159.9
[M+Na]+ 295.04894 173.2
[M+NH4]+ 290.09354 162.4
[M+K]+ 311.02288 164.2
[M-H]- 271.05244 153.3
[M+Na-2H]- 293.03439 163.5
[M]+ 272.05917 159.0
[M]- 272.06027 159.0
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.