CID 56071

Brn 2255230

Structural Information

Molecular Formula
C4H11Cl2N3O2S
SMILES
C(CCl)N(CCCl)S(=O)(=O)NN
InChI
InChI=1S/C4H11Cl2N3O2S/c5-1-3-9(4-2-6)12(10,11)8-7/h8H,1-4,7H2
InChIKey
JDXJANSVEQBXFS-UHFFFAOYSA-N
Compound name
1-chloro-2-[2-chloroethyl(hydrazinesulfonyl)amino]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9949 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00218 145.5
[M+Na]+ 257.98412 152.4
[M-H]- 233.98762 146.5
[M+NH4]+ 253.02872 164.2
[M+K]+ 273.95806 148.7
[M+H-H2O]+ 217.99216 141.7
[M+HCOO]- 279.99310 156.8
[M+CH3COO]- 294.00875 193.5
[M+Na-2H]- 255.96957 148.8
[M]+ 234.99435 149.1
[M]- 234.99545 149.1
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.