CID 5356336

2,4'-dichlorochalcone

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂O

SMILES

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

InChI

InChI=1S/C15H10Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+

InChIKey

ALLWUEVPWWNNGO-JXMROGBWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 276.01086 Da
Monoisotopic Mass: 5.0
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