CID 5113981

1,2-bis(2,4-dichlorophenyl)-1,2-ethanediamine

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 174.4
[M+Na]+ 370.96468 183.0
[M-H]- 346.96818 176.7
[M+NH4]+ 366.00928 187.9
[M+K]+ 386.93862 175.5
[M+H-H2O]+ 330.97272 170.4
[M+HCOO]- 392.97366 177.0
[M+CH3COO]- 406.98931 183.1
[M+Na-2H]- 368.95013 172.1
[M]+ 347.97491 174.2
[M]- 347.97601 174.2
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