CID 24846252

Sulfamide, n,n-bis(2-chloroethyl)-n',n'-diethyl-

Structural Information

Molecular Formula
C8H18Cl2N2O2S
SMILES
CCN(CC)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H18Cl2N2O2S/c1-3-11(4-2)15(13,14)12(7-5-9)8-6-10/h3-8H2,1-2H3
InChIKey
VCDNPMGCLWFKKA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-(diethylsulfamoyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.053876 158.8
[M+Na]+ 299.035818 165.3
[M-H]- 275.039324 161.5
[M+NH4]+ 294.080423 177.5
[M+K]+ 315.009758 162.4
[M+H-H2O]+ 259.043860 154.6
[M+HCOO]- 321.044801 169.2
[M+CH3COO]- 335.060451 204.3
[M+Na-2H]- 297.021266 160.3
[M]+ 276.04605142 167.2
[M]- 276.04714858 167.2
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.