CID 2781456

22102-10-9

Structural Information

Molecular Formula

C₁₀H₉F₃O₂

SMILES

COC1=CC=C(C=C1)CC(=O)C(F)(F)F

InChI

InChI=1S/C10H9F3O2/c1-15-8-4-2-7(3-5-8)6-9(14)10(11,12)13/h2-5H,6H2,1H3

InChIKey

YLMHLXFFVYFSNR-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.05547 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]+	219.06275	150.2
[M+Na]+	241.04469	159.1
[M+NH4]+	236.08929	155.4
[M+K]+	257.01863	154.1
[M-H]-	217.04819	146.7
[M+Na-2H]-	239.03014	153.9
[M]+	218.05492	150.1
[M]-	218.05602	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe