CID 91852

56425-84-4

Structural Information

Molecular Formula

C₁₁H₁₁F₃O₂

SMILES

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

InChI

InChI=1S/C11H11F3O2/c1-7(2)10(15)8-3-5-9(6-4-8)16-11(12,13)14/h3-7H,1-2H3

InChIKey

LRLLMOWTLDDQIW-UHFFFAOYSA-N

Compound name

2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 43
Patents: 232.07112 Da
Monoisotopic Mass: 3.8
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]+	233.07840	145.9
[M+Na]+	255.06034	153.8
[M-H]-	231.06384	145.8
[M+NH4]+	250.10494	163.9
[M+K]+	271.03428	152.0
[M+H-H2O]+	215.06838	137.8
[M+HCOO]-	277.06932	163.7
[M+CH3COO]-	291.08497	191.3
[M+Na-2H]-	253.04579	148.9
[M]+	232.07057	143.7
[M]-	232.07167	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe