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]+ 309.091996 170.7
[M+Na]+ 331.073938 177.8
[M-H]- 307.077444 175.9
[M+NH4]+ 326.118543 186.2
[M+K]+ 347.047878 170.0
[M+H-H2O]+ 291.081980 163.9
[M+HCOO]- 353.082921 186.6
[M+CH3COO]- 367.098571 208.0
[M+Na-2H]- 329.059386 175.4
[M]+ 308.08417142 173.4
[M]- 308.08526858 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.