CID 16338

N,n'-bis(o-chlorobenzyl)ethylenediamine dihydrochloride

Structural Information

Molecular Formula
C16H18Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C16H18Cl2N2/c17-15-7-3-1-5-13(15)11-19-9-10-20-12-14-6-2-4-8-16(14)18/h1-8,19-20H,9-12H2
InChIKey
ULNAUYKDNNUELJ-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.08472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09200 170.7
[M+Na]+ 331.07394 177.8
[M-H]- 307.07744 175.9
[M+NH4]+ 326.11854 186.2
[M+K]+ 347.04788 170.0
[M+H-H2O]+ 291.08198 163.9
[M+HCOO]- 353.08292 186.6
[M+CH3COO]- 367.09857 208.0
[M+Na-2H]- 329.05939 175.4
[M]+ 308.08417 173.4
[M]- 308.08527 173.4
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

No patent data available for this compound.