CID 432152

86212-34-2

Structural Information

Molecular Formula

C₁₄H₁₄Cl₂N₂

SMILES

C1=CC(=CC=C1C(C(C2=CC=C(C=C2)Cl)N)N)Cl

InChI

InChI=1S/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2

InChIKey

HHPPUZSHKRJDIW-UHFFFAOYSA-N

Compound name

1,2-bis(4-chlorophenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 280.0534 Da
Monoisotopic Mass: 2.7
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]+	281.06068	162.5
[M+Na]+	303.04262	170.0
[M-H]-	279.04612	167.4
[M+NH4]+	298.08722	178.6
[M+K]+	319.01656	163.1
[M+H-H2O]+	263.05066	156.9
[M+HCOO]-	325.05160	176.1
[M+CH3COO]-	339.06725	202.7
[M+Na-2H]-	301.02807	164.0
[M]+	280.05285	161.6
[M]-	280.05395	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe