CID 118884855

5-(1,1,2,2-tetrafluoroethoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5F4NO3
SMILES
C1=CC(=NC=C1OC(C(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H5F4NO3/c9-7(10)8(11,12)16-4-1-2-5(6(14)15)13-3-4/h1-3,7H,(H,14,15)
InChIKey
QARHDANQANHEHJ-UHFFFAOYSA-N
Compound name
5-(1,1,2,2-tetrafluoroethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.02055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.027826 142.3
[M+Na]+ 262.009768 150.9
[M-H]- 238.013274 138.4
[M+NH4]+ 257.054373 157.6
[M+K]+ 277.983708 148.8
[M+H-H2O]+ 222.017810 132.8
[M+HCOO]- 284.018751 157.4
[M+CH3COO]- 298.034401 187.8
[M+Na-2H]- 259.995216 145.9
[M]+ 239.02000142 137.9
[M]- 239.02109858 137.9
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