CID 2777245

2-(trifluoromethoxy)benzyl alcohol

Structural Information

Molecular Formula

C₈H₇F₃O₂

SMILES

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

InChI

InChI=1S/C8H7F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2

InChIKey

ICOVMLDFMWLRJO-UHFFFAOYSA-N

Compound name

[2-(trifluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 192.03981 Da
Monoisotopic Mass: 2.3
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]+	193.047086	134.1
[M+Na]+	215.029028	143.1
[M-H]-	191.032534	132.9
[M+NH4]+	210.073633	153.2
[M+K]+	231.002968	140.7
[M+H-H2O]+	175.037070	126.6
[M+HCOO]-	237.038011	153.2
[M+CH3COO]-	251.053661	178.8
[M+Na-2H]-	213.014476	140.6
[M]+	192.03926142	130.9
[M]-	192.04035858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe