CID 41864

N,n'-dichloro-n,n'-dinitro-1,6-hexanediamine

Structural Information

Molecular Formula
C6H12Cl2N4O4
SMILES
C(CCCN([N+](=O)[O-])Cl)CCN([N+](=O)[O-])Cl
InChI
InChI=1S/C6H12Cl2N4O4/c7-9(11(13)14)5-3-1-2-4-6-10(8)12(15)16/h1-6H2
InChIKey
CDQHTUJEZDURJI-UHFFFAOYSA-N
Compound name
N-chloro-N-[6-[chloro(nitro)amino]hexyl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.02356 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03084 161.3
[M+Na]+ 297.01278 164.7
[M-H]- 273.01628 162.1
[M+NH4]+ 292.05738 208.3
[M+K]+ 312.98672 156.4
[M+H-H2O]+ 257.02082 165.8
[M+HCOO]- 319.02176 212.6
[M+CH3COO]- 333.03741 195.5
[M+Na-2H]- 294.99823 166.7
[M]+ 274.02301 163.3
[M]- 274.02411 163.3
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.