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 135.5
[M+Na]+ 214.04502 144.3
[M-H]- 190.04852 132.9
[M+NH4]+ 209.08962 153.3
[M+K]+ 230.01896 141.7
[M+H-H2O]+ 174.05306 127.3
[M+HCOO]- 236.05400 152.1
[M+CH3COO]- 250.06965 180.2
[M+Na-2H]- 212.03047 140.8
[M]+ 191.05525 130.7
[M]- 191.05635 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.