CID 16218344

Methyl [(2,2,2-trichloroethoxy)sulfonyl]carbonochloridimidothioate

Structural Information

Molecular Formula
C4H5Cl4NO3S2
SMILES
CS/C(=N/S(=O)(=O)OCC(Cl)(Cl)Cl)/Cl
InChI
InChI=1S/C4H5Cl4NO3S2/c1-13-3(5)9-14(10,11)12-2-4(6,7)8/h2H2,1H3/b9-3+
InChIKey
NGCLYHLLOXVGSU-YCRREMRBSA-N
Compound name
2,2,2-trichloroethyl (NZ)-N-[chloro(methylsulfanyl)methylidene]sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.8465 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.85378 159.2
[M+Na]+ 341.83572 166.4
[M-H]- 317.83922 159.6
[M+NH4]+ 336.88032 175.2
[M+K]+ 357.80966 161.7
[M+H-H2O]+ 301.84376 158.2
[M+HCOO]- 363.84470 152.6
[M+CH3COO]- 377.86035 199.5
[M+Na-2H]- 339.82117 159.7
[M]+ 318.84595 163.7
[M]- 318.84705 163.7
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

patents stripe