CID 66893281

[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
C1=CC(=NC=C1OCC(F)(F)F)CO
InChI
InChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)12-3-7/h1-3,13H,4-5H2
InChIKey
KYPHIGVGVMAUHO-UHFFFAOYSA-N
Compound name
[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

207.05072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 145.0
[M+Na]+ 230.03994 153.8
[M+NH4]+ 225.08454 149.8
[M+K]+ 246.01388 149.2
[M-H]- 206.04344 140.7
[M+Na-2H]- 228.02539 148.7
[M]+ 207.05017 144.6
[M]- 207.05127 144.6
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