CID 49760380

1-(6-(trifluoromethyl)pyridin-3-yl)ethanol

Structural Information

Molecular Formula
C8H8F3NO
SMILES
CC(C1=CN=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3
InChIKey
JGVSFNXTWYOUFV-UHFFFAOYSA-N
Compound name
1-[6-(trifluoromethyl)-3-pyridinyl]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

59
Patents

191.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 135.5
[M+Na]+ 214.045018 144.3
[M-H]- 190.048524 132.9
[M+NH4]+ 209.089623 153.3
[M+K]+ 230.018958 141.7
[M+H-H2O]+ 174.053060 127.3
[M+HCOO]- 236.054001 152.1
[M+CH3COO]- 250.069651 180.2
[M+Na-2H]- 212.030466 140.8
[M]+ 191.05525142 130.7
[M]- 191.05634858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe