CID 9570868

Brn 2297674

Structural Information

Molecular Formula
C10H19Cl2N3O4S
SMILES
CCOC(=O)C/C(=N/NS(=O)(=O)N(CCCl)CCCl)/C
InChI
InChI=1S/C10H19Cl2N3O4S/c1-3-19-10(16)8-9(2)13-14-20(17,18)15(6-4-11)7-5-12/h14H,3-8H2,1-2H3/b13-9+
InChIKey
QPZYFKJNYKCIEX-UKTHLTGXSA-N
Compound name
ethyl (3E)-3-[bis(2-chloroethyl)sulfamoylhydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.04733 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05461 177.5
[M+Na]+ 370.03655 182.8
[M+NH4]+ 365.08115 181.8
[M+K]+ 386.01049 177.4
[M-H]- 346.04005 175.1
[M+Na-2H]- 368.02200 177.7
[M]+ 347.04678 177.9
[M]- 347.04788 177.9
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.