CID 58365

101418-50-2

Structural Information

Molecular Formula
C14H28Cl4N2
SMILES
CC(CN(CCN(CC(C)Cl)CC(C)Cl)CC(C)Cl)Cl
InChI
InChI=1S/C14H28Cl4N2/c1-11(15)7-19(8-12(2)16)5-6-20(9-13(3)17)10-14(4)18/h11-14H,5-10H2,1-4H3
InChIKey
UYVWQIKJVLNSGW-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-chloropropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10065 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10793 186.5
[M+Na]+ 387.08987 189.3
[M-H]- 363.09337 185.3
[M+NH4]+ 382.13447 200.6
[M+K]+ 403.06381 185.3
[M+H-H2O]+ 347.09791 183.1
[M+HCOO]- 409.09885 187.0
[M+CH3COO]- 423.11450 227.8
[M+Na-2H]- 385.07532 180.3
[M]+ 364.10010 191.3
[M]- 364.10120 191.3
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.