CID 11240637

2,3-difluoropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H3F2NO2
SMILES
C1=CN=C(C(=C1C(=O)O)F)F
InChI
InChI=1S/C6H3F2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)
InChIKey
FFGHMEKFPCGYEG-UHFFFAOYSA-N
Compound name
2,3-difluoropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

159.01318 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02046 124.4
[M+Na]+ 182.00240 134.6
[M-H]- 158.00590 123.6
[M+NH4]+ 177.04700 143.5
[M+K]+ 197.97634 132.5
[M+H-H2O]+ 142.01044 117.1
[M+HCOO]- 204.01138 144.7
[M+CH3COO]- 218.02703 174.0
[M+Na-2H]- 179.98785 130.0
[M]+ 159.01263 121.9
[M]- 159.01373 121.9
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