CID 292906

104890-73-5

Structural Information

Molecular Formula

C₁₅H₉Cl₃O

SMILES

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

InChI

InChI=1S/C15H9Cl3O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H

InChIKey

UNMRSNMNIOEKID-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 309.9719 Da
Monoisotopic Mass: 5.6
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]+	310.97918	163.2
[M+Na]+	332.96112	173.7
[M-H]-	308.96462	168.2
[M+NH4]+	328.00572	179.5
[M+K]+	348.93506	165.5
[M+H-H2O]+	292.96916	158.3
[M+HCOO]-	354.97010	171.7
[M+CH3COO]-	368.98575	202.2
[M+Na-2H]-	330.94657	165.1
[M]+	309.97135	166.9
[M]-	309.97245	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe