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)-3-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.05072 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.057996 138.9
[M+Na]+ 230.039938 147.8
[M-H]- 206.043444 136.2
[M+NH4]+ 225.084543 156.0
[M+K]+ 246.013878 145.2
[M+H-H2O]+ 190.047980 130.3
[M+HCOO]- 252.048921 156.7
[M+CH3COO]- 266.064571 181.4
[M+Na-2H]- 228.025386 145.4
[M]+ 207.05017142 136.2
[M]- 207.05126858 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