CID 118803443

2-(difluoromethyl)-3-methylpyridine-5-carboxylic acid

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
CC1=CC(=CN=C1C(F)F)C(=O)O
InChI
InChI=1S/C8H7F2NO2/c1-4-2-5(8(12)13)3-11-6(4)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKey
UPHONRUHONEECC-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.04448 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 138.9
[M+Na]+ 210.03370 149.0
[M+NH4]+ 205.07830 144.5
[M+K]+ 226.00764 144.9
[M-H]- 186.03720 136.1
[M+Na-2H]- 208.01915 142.7
[M]+ 187.04393 139.1
[M]- 187.04503 139.1
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