CID 54594557

1-phenyl-2-(trifluoromethoxy)ethan-1-ol

Structural Information

Molecular Formula

C₉H₉F₃O₂

SMILES

C1=CC=C(C=C1)C(COC(F)(F)F)O

InChI

InChI=1S/C9H9F3O2/c10-9(11,12)14-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2

InChIKey

KBEAWYBOFPLQSZ-UHFFFAOYSA-N

Compound name

1-phenyl-2-(trifluoromethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.05547 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.06275	145.9
[M+Na]+	229.04469	154.2
[M+NH4]+	224.08929	151.3
[M+K]+	245.01863	149.7
[M-H]-	205.04819	142.2
[M+Na-2H]-	227.03014	149.7
[M]+	206.05492	145.7
[M]-	206.05602	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.