CID 2783262

3,5-difluoropyridine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

726
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

literature stripe

Patent stripe

patents stripe