CID 56025

Brn 2274566

Structural Information

Molecular Formula
C7H15Cl2N3O2S
SMILES
CC(=NNS(=O)(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C7H15Cl2N3O2S/c1-7(2)10-11-15(13,14)12(5-3-8)6-4-9/h11H,3-6H2,1-2H3
InChIKey
SDKLMVOCBGSHLY-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)sulfamoylhydrazinylidene]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0262 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03348 158.6
[M+Na]+ 298.01542 164.8
[M-H]- 274.01892 161.2
[M+NH4]+ 293.06002 176.7
[M+K]+ 313.98936 161.5
[M+H-H2O]+ 258.02346 154.2
[M+HCOO]- 320.02440 170.3
[M+CH3COO]- 334.04005 204.6
[M+Na-2H]- 296.00087 160.8
[M]+ 275.02565 164.9
[M]- 275.02675 164.9
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.