CID 146075387

2227706-43-4

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C[C@H](C1=C(N=CC=C1)C(F)(F)F)O
InChI
InChI=1S/C8H8F3NO/c1-5(13)6-3-2-4-12-7(6)8(9,10)11/h2-5,13H,1H3/t5-/m1/s1
InChIKey
LXAUCTIDNYDKTL-RXMQYKEDSA-N
Compound name
(1R)-1-[2-(trifluoromethyl)pyridin-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 142.2
[M+Na]+ 214.04502 151.2
[M+NH4]+ 209.08962 147.5
[M+K]+ 230.01896 146.8
[M-H]- 190.04852 138.2
[M+Na-2H]- 212.03047 146.1
[M]+ 191.05525 142.0
[M]- 191.05635 142.0
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

No patent data available for this compound.