CID 97619175

1-(difluoromethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
C1=CN(C(=O)C=C1C(=O)O)C(F)F
InChI
InChI=1S/C7H5F2NO3/c8-7(9)10-2-1-4(6(12)13)3-5(10)11/h1-3,7H,(H,12,13)
InChIKey
OAYNNHAYSGHXPU-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.02374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03102 137.1
[M+Na]+ 212.01296 147.0
[M+NH4]+ 207.05756 142.0
[M+K]+ 227.98690 143.5
[M-H]- 188.01646 133.6
[M+Na-2H]- 209.99841 140.6
[M]+ 189.02319 137.0
[M]- 189.02429 137.0
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.