CID 225969

Trichloromethyl methyl perthioxanthate

Structural Information

Molecular Formula
C3H3Cl3OS3
SMILES
COC(=S)SSC(Cl)(Cl)Cl
InChI
InChI=1S/C3H3Cl3OS3/c1-7-2(8)9-10-3(4,5)6/h1H3
InChIKey
PPQNAIIXJVODIW-UHFFFAOYSA-N
Compound name
O-methyl (trichloromethyldisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.84116 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.84844 142.4
[M+Na]+ 278.83038 150.0
[M-H]- 254.83388 142.2
[M+NH4]+ 273.87498 160.6
[M+K]+ 294.80432 143.7
[M+H-H2O]+ 238.83842 141.3
[M+HCOO]- 300.83936 133.8
[M+CH3COO]- 314.85501 187.4
[M+Na-2H]- 276.81583 141.1
[M]+ 255.84061 144.7
[M]- 255.84171 144.7
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

No patent data available for this compound.