CID 68179365

2-fluoro-6-(trifluoromethyl)isonicotinic acid

Structural Information

Molecular Formula
C7H3F4NO2
SMILES
C1=C(C=C(N=C1C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C7H3F4NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey
NDURNUDTAZLSJA-UHFFFAOYSA-N
Compound name
2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

209.01 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.017276 134.9
[M+Na]+ 231.999218 145.2
[M-H]- 208.002724 131.5
[M+NH4]+ 227.043823 151.9
[M+K]+ 247.973158 142.3
[M+H-H2O]+ 192.007260 126.0
[M+HCOO]- 254.008201 151.0
[M+CH3COO]- 268.023851 182.4
[M+Na-2H]- 229.984666 139.4
[M]+ 209.00945142 129.6
[M]- 209.01054858 129.6
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