CID 56065

Brn 2283206

Structural Information

Molecular Formula
C8H16Cl2N2O4S
SMILES
CCOC(=O)CNS(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N2O4S/c1-2-16-8(13)7-11-17(14,15)12(5-3-9)6-4-10/h11H,2-7H2,1H3
InChIKey
MAGZBZUTPPWUEW-UHFFFAOYSA-N
Compound name
ethyl 2-[bis(2-chloroethyl)sulfamoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.02078 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02806 162.2
[M+Na]+ 329.01000 168.3
[M-H]- 305.01350 163.5
[M+NH4]+ 324.05460 178.8
[M+K]+ 344.98394 165.0
[M+H-H2O]+ 289.01804 158.3
[M+HCOO]- 351.01898 172.0
[M+CH3COO]- 365.03463 204.2
[M+Na-2H]- 326.99545 164.0
[M]+ 306.02023 170.8
[M]- 306.02133 170.8
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.