CID 5113981

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

Structural Information

Molecular Formula
C14H12Cl4N2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(C(C2=C(C=C(C=C2)Cl)Cl)N)N
InChI
InChI=1S/C14H12Cl4N2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H,19-20H2
InChIKey
UXVDOQZLEYUGHO-UHFFFAOYSA-N
Compound name
1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.97546 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.98274 178.7
[M+Na]+ 370.96468 193.2
[M+NH4]+ 366.00928 187.1
[M+K]+ 386.93862 184.2
[M-H]- 346.96818 183.0
[M+Na-2H]- 368.95013 185.5
[M]+ 347.97491 183.1
[M]- 347.97601 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe