CID 54560084

(6-(2,2,2-trifluoroethoxy)pyridin-3-yl)methanol

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
C1=CC(=NC=C1CO)OCC(F)(F)F
InChI
InChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)3-12-7/h1-3,13H,4-5H2
InChIKey
ZPXXCBWFBUPEGM-UHFFFAOYSA-N
Compound name
[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.05072 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 138.9
[M+Na]+ 230.03994 147.8
[M-H]- 206.04344 136.2
[M+NH4]+ 225.08454 156.0
[M+K]+ 246.01388 145.2
[M+H-H2O]+ 190.04798 130.3
[M+HCOO]- 252.04892 156.7
[M+CH3COO]- 266.06457 181.4
[M+Na-2H]- 228.02539 145.4
[M]+ 207.05017 136.2
[M]- 207.05127 136.2
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