CID 24846258

Brn 2308364

Structural Information

Molecular Formula
C10H22Cl4N4O4S2
SMILES
C(CNS(=O)(=O)N(CCCl)CCCl)NS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H22Cl4N4O4S2/c11-1-7-17(8-2-12)23(19,20)15-5-6-16-24(21,22)18(9-3-13)10-4-14/h15-16H,1-10H2
InChIKey
UUGPCCYLCZWBGY-UHFFFAOYSA-N
Compound name
1,2-bis[bis(2-chloroethyl)sulfamoylamino]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.98367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.99095 195.8
[M+Na]+ 488.97289 197.8
[M-H]- 464.97639 195.8
[M+NH4]+ 484.01749 205.5
[M+K]+ 504.94683 192.7
[M+H-H2O]+ 448.98093 192.5
[M+HCOO]- 510.98187 191.0
[M+CH3COO]- 524.99752 234.4
[M+Na-2H]- 486.95834 195.9
[M]+ 465.98312 202.3
[M]- 465.98422 202.3
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.