CID 67765469

Benzenemethanol, 5-methyl-2-(trifluoromethoxy)-

Structural Information

Molecular Formula

C₉H₉F₃O₂

SMILES

CC1=CC(=C(C=C1)OC(F)(F)F)CO

InChI

InChI=1S/C9H9F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h2-4,13H,5H2,1H3

InChIKey

NRDALTWSSLVMLU-UHFFFAOYSA-N

Compound name

[5-methyl-2-(trifluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.05547 Da
Monoisotopic Mass: 2.0
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	146.7
[M+Na]+	229.04469	155.9
[M+NH4]+	224.08929	152.1
[M+K]+	245.01863	150.9
[M-H]-	205.04819	143.2
[M+Na-2H]-	227.03014	150.3
[M]+	206.05492	146.7
[M]-	206.05602	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe