CID 47079

Trichloromethyl allyl perthioxanthate

Structural Information

Molecular Formula
C5H5Cl3S3
SMILES
C=CCSC(=S)SC(Cl)(Cl)Cl
InChI
InChI=1S/C5H5Cl3S3/c1-2-3-10-4(9)11-5(6,7)8/h2H,1,3H2
InChIKey
YIAUQSKJQIDQQA-UHFFFAOYSA-N
Compound name
prop-2-enylsulfanyl(trichloromethylsulfanyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.8619 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.86918 166.2
[M+Na]+ 288.85112 175.8
[M+NH4]+ 283.89572 174.6
[M+K]+ 304.82506 163.6
[M-H]- 264.85462 165.5
[M+Na-2H]- 286.83657 166.2
[M]+ 265.86135 169.3
[M]- 265.86245 169.3
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.