CID 86814

Kez2jxz60k

Structural Information

Molecular Formula

C₂₀H₁₆Cl₂O

SMILES

C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1

InChI

InChI=1S/C20H16Cl2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2

InChIKey

MNFGLQYSNLSOHP-UHFFFAOYSA-N

Compound name

2,6-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 342.05783 Da
Monoisotopic Mass: 6.3
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]+	343.06511	179.7
[M+Na]+	365.04705	188.0
[M-H]-	341.05055	187.8
[M+NH4]+	360.09165	194.3
[M+K]+	381.02099	178.6
[M+H-H2O]+	325.05509	172.2
[M+HCOO]-	387.05603	190.2
[M+CH3COO]-	401.07168	189.9
[M+Na-2H]-	363.03250	179.5
[M]+	342.05728	178.4
[M]-	342.05838	178.4

Literature stripe

literature stripe

Patent stripe

patents stripe