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 130.9
[M+Na]+ 212.01296 140.7
[M-H]- 188.01646 130.1
[M+NH4]+ 207.05756 148.6
[M+K]+ 227.98690 138.7
[M+H-H2O]+ 172.02100 123.3
[M+HCOO]- 234.02194 150.3
[M+CH3COO]- 248.03759 179.2
[M+Na-2H]- 209.99841 134.8
[M]+ 189.02319 128.9
[M]- 189.02429 128.9
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.