CID 9570856

Brn 2290354

Structural Information

Molecular Formula
C8H15Cl2N3O3S
SMILES
C/C(=N\NS(=O)(=O)N(CCCl)CCCl)/C(=O)C
InChI
InChI=1S/C8H15Cl2N3O3S/c1-7(8(2)14)11-12-17(15,16)13(5-3-9)6-4-10/h12H,3-6H2,1-2H3/b11-7+
InChIKey
JDIQJMWYACAHTO-YRNVUSSQSA-N
Compound name
(2E)-2-[bis(2-chloroethyl)sulfamoylhydrazinylidene]-3-oxobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02112 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02840 163.9
[M+Na]+ 326.01034 169.6
[M-H]- 302.01384 166.6
[M+NH4]+ 321.05494 180.8
[M+K]+ 341.98428 166.5
[M+H-H2O]+ 286.01838 159.5
[M+HCOO]- 348.01932 174.9
[M+CH3COO]- 362.03497 209.5
[M+Na-2H]- 323.99579 165.1
[M]+ 303.02057 170.9
[M]- 303.02167 170.9
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.