CID 2388897

116476-54-1

Structural Information

Molecular Formula

C₁₅H₁₀Cl₄N₂O₂

SMILES

C1=CC(=C(C=C1Cl)NC(=O)CC(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl

InChI

InChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)

InChIKey

YSQOJZQREQNKQO-UHFFFAOYSA-N

Compound name

N,N'-bis(2,5-dichlorophenyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 389.94965 Da
Monoisotopic Mass: 5.7
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]+	390.95693	181.7
[M+Na]+	412.93887	190.4
[M-H]-	388.94237	185.2
[M+NH4]+	407.98347	194.1
[M+K]+	428.91281	183.6
[M+H-H2O]+	372.94691	177.3
[M+HCOO]-	434.94785	186.0
[M+CH3COO]-	448.96350	219.9
[M+Na-2H]-	410.92432	181.1
[M]+	389.94910	184.9
[M]-	389.95020	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe