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]+ 218.96823 141.8
[M+Na]+ 240.95017 146.8
[M-H]- 216.95367 143.3
[M+NH4]+ 235.99477 159.0
[M+K]+ 256.92411 139.5
[M+H-H2O]+ 200.95821 147.1
[M+HCOO]- 262.95915 161.6
[M+CH3COO]- 276.97480 183.9
[M+Na-2H]- 238.93562 149.2
[M]+ 217.96040 142.4
[M]- 217.96150 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.