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 147.3
[M+Na]+ 288.85112 154.6
[M-H]- 264.85462 146.8
[M+NH4]+ 283.89572 165.1
[M+K]+ 304.82506 146.8
[M+H-H2O]+ 248.85916 145.9
[M+HCOO]- 310.86010 137.9
[M+CH3COO]- 324.87575 190.2
[M+Na-2H]- 286.83657 144.8
[M]+ 265.86135 148.3
[M]- 265.86245 148.3
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.