CID 16218346

882739-46-0

Structural Information

Molecular Formula
C5H8Cl3NO3S3
SMILES
CSC(=NS(=O)(=O)OCC(Cl)(Cl)Cl)SC
InChI
InChI=1S/C5H8Cl3NO3S3/c1-13-4(14-2)9-15(10,11)12-3-5(6,7)8/h3H2,1-2H3
InChIKey
YLVMQHRVOAWREM-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-[bis(methylsulfanyl)methylidene]sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.8732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.88048 182.4
[M+Na]+ 353.86242 189.5
[M+NH4]+ 348.90702 188.6
[M+K]+ 369.83636 179.6
[M-H]- 329.86592 180.0
[M+Na-2H]- 351.84787 181.4
[M]+ 330.87265 184.5
[M]- 330.87375 184.5
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.