CID 5712114

3-(3,4-dichlorophenyl)-1-phenylprop-2-en-1-one

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂O

SMILES

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

InChI

InChI=1S/C15H10Cl2O/c16-13-8-6-11(10-14(13)17)7-9-15(18)12-4-2-1-3-5-12/h1-10H/b9-7+

InChIKey

QWYKPZUFPSREFT-VQHVLOKHSA-N

Compound name

(E)-3-(3,4-dichlorophenyl)-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 276.01086 Da
Monoisotopic Mass: 4.9
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]+	277.01814	158.9
[M+Na]+	299.00008	176.1
[M+NH4]+	294.04468	168.6
[M+K]+	314.97402	166.0
[M-H]-	275.00358	163.8
[M+Na-2H]-	296.98553	168.9
[M]+	276.01031	163.6
[M]-	276.01141	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe