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)-3-pyridinyl]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]+ 192.063076 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.