CID 432152

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06068 163.1
[M+Na]+ 303.04262 177.3
[M+NH4]+ 298.08722 172.4
[M+K]+ 319.01656 169.0
[M-H]- 279.04612 168.7
[M+Na-2H]- 301.02807 171.8
[M]+ 280.05285 167.3
[M]- 280.05395 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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