CID 26597260

(1r)-1-[3-(trifluoromethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
C[C@H](C1=CC(=CC=C1)OC(F)(F)F)O
InChI
InChI=1S/C9H9F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
InChIKey
BWANKNAGTRWECQ-ZCFIWIBFSA-N
Compound name
(1R)-1-[3-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

206.05547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 146.3
[M+Na]+ 229.04469 154.9
[M+NH4]+ 224.08929 151.7
[M+K]+ 245.01863 150.5
[M-H]- 205.04819 142.6
[M+Na-2H]- 227.03014 149.9
[M]+ 206.05492 146.2
[M]- 206.05602 146.2
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

No patent data available for this compound.