CID 130092263

5-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H3F4NO3
SMILES
C1=C(C=NC(=C1C(=O)O)OC(F)(F)F)F
InChI
InChI=1S/C7H3F4NO3/c8-3-1-4(6(13)14)5(12-2-3)15-7(9,10)11/h1-2H,(H,13,14)
InChIKey
WNDLQQYRNKBRQX-UHFFFAOYSA-N
Compound name
5-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0049 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01218 137.8
[M+Na]+ 247.99412 148.1
[M-H]- 223.99762 134.4
[M+NH4]+ 243.03872 154.1
[M+K]+ 263.96806 145.7
[M+H-H2O]+ 208.00216 128.7
[M+HCOO]- 270.00310 154.2
[M+CH3COO]- 284.01875 184.5
[M+Na-2H]- 245.97957 142.4
[M]+ 225.00435 134.0
[M]- 225.00545 134.0
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

No patent data available for this compound.