CID 118884855

5-(1,1,2,2-tetrafluoroethoxy)pyridine-2-carboxylicacid

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]+ 240.02783 142.3
[M+Na]+ 262.00977 150.9
[M-H]- 238.01327 138.4
[M+NH4]+ 257.05437 157.6
[M+K]+ 277.98371 148.8
[M+H-H2O]+ 222.01781 132.8
[M+HCOO]- 284.01875 157.4
[M+CH3COO]- 298.03440 187.8
[M+Na-2H]- 259.99522 145.9
[M]+ 239.02000 137.9
[M]- 239.02110 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