CID 20376123

1737-28-6

Structural Information

Molecular Formula

C₉H₉F₃O₂

SMILES

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

InChI

InChI=1S/C9H9F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3

InChIKey

RFESEZYNEIOJHS-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 206.05547 Da
Monoisotopic Mass: 2.6
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	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe