CID 2759733

26944-43-4

Structural Information

Molecular Formula

C₉H₇F₃O₂

SMILES

COC1=CC=CC=C1C(=O)C(F)(F)F

InChI

InChI=1S/C9H7F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H,1H3

InChIKey

SKDHRHGYJIMXRJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(2-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 204.03981 Da
Monoisotopic Mass: 2.9
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]+	205.047086	136.7
[M+Na]+	227.029028	145.8
[M-H]-	203.032534	136.9
[M+NH4]+	222.073633	155.9
[M+K]+	243.002968	143.9
[M+H-H2O]+	187.037070	128.9
[M+HCOO]-	249.038011	156.2
[M+CH3COO]-	263.053661	184.4
[M+Na-2H]-	225.014476	142.0
[M]+	204.03926142	134.5
[M]-	204.04035858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe