CID 256546

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one

Structural Information

Molecular Formula

C₁₆H₁₃ClO₂

SMILES

COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3

InChIKey

KGKFNDADSPFRCJ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 13
Patents: 272.0604 Da
Monoisotopic Mass: 3.7
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]+	273.06768	159.4
[M+Na]+	295.04962	168.2
[M-H]-	271.05312	166.1
[M+NH4]+	290.09422	176.6
[M+K]+	311.02356	162.4
[M+H-H2O]+	255.05766	152.8
[M+HCOO]-	317.05860	178.5
[M+CH3COO]-	331.07425	196.6
[M+Na-2H]-	293.03507	163.3
[M]+	272.05985	163.0
[M]-	272.06095	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe