CID 13001835

89402-28-8

Structural Information

Molecular Formula
C7H3F4NO2
SMILES
C1=C(C=NC(=C1F)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H3F4NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKey
CRZWUUUZTIMHML-UHFFFAOYSA-N
Compound name
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

209.01 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01728 134.9
[M+Na]+ 231.99922 145.2
[M-H]- 208.00272 131.5
[M+NH4]+ 227.04382 151.9
[M+K]+ 247.97316 142.3
[M+H-H2O]+ 192.00726 126.0
[M+HCOO]- 254.00820 151.0
[M+CH3COO]- 268.02385 182.4
[M+Na-2H]- 229.98467 139.4
[M]+ 209.00945 129.6
[M]- 209.01055 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