CID 12175126

4,6-difluoropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3F2NO2
SMILES
C1=C(C(=CN=C1F)C(=O)O)F
InChI
InChI=1S/C6H3F2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
InChIKey
CWAIXXHIRUVOMA-UHFFFAOYSA-N
Compound name
4,6-difluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.01318 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.020456 124.4
[M+Na]+ 182.002398 134.6
[M-H]- 158.005904 123.6
[M+NH4]+ 177.047003 143.5
[M+K]+ 197.976338 132.5
[M+H-H2O]+ 142.010440 117.1
[M+HCOO]- 204.011381 144.7
[M+CH3COO]- 218.027031 174.0
[M+Na-2H]- 179.987846 130.0
[M]+ 159.01263142 121.9
[M]- 159.01372858 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