CID 34187

Ethylenediamine, n,n'-dichloro-n,n'-dinitro-

Structural Information

Molecular Formula
C2H4Cl2N4O4
SMILES
C(CN([N+](=O)[O-])Cl)N([N+](=O)[O-])Cl
InChI
InChI=1S/C2H4Cl2N4O4/c3-5(7(9)10)1-2-6(4)8(11)12/h1-2H2
InChIKey
PTIDKBLEDRRYBR-UHFFFAOYSA-N
Compound name
N-chloro-N-[2-[chloro(nitro)amino]ethyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.96095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.968226 141.8
[M+Na]+ 240.950168 146.8
[M-H]- 216.953674 143.3
[M+NH4]+ 235.994773 159.0
[M+K]+ 256.924108 139.5
[M+H-H2O]+ 200.958210 147.1
[M+HCOO]- 262.959151 161.6
[M+CH3COO]- 276.974801 183.9
[M+Na-2H]- 238.935616 149.2
[M]+ 217.96040142 142.4
[M]- 217.96149858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe