CID 474270

S-(thiiran-2-ylmethyl) 2,2,2-trichloroethanethioate

Structural Information

Molecular Formula
C5H5Cl3OS2
SMILES
C1C(S1)CSC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H5Cl3OS2/c6-5(7,8)4(9)11-2-3-1-10-3/h3H,1-2H2
InChIKey
JDNNTUXWWCHFFT-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2,2,2-trichloroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.88474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.89202 130.7
[M+Na]+ 272.87396 138.9
[M-H]- 248.87746 133.7
[M+NH4]+ 267.91856 144.7
[M+K]+ 288.84790 133.8
[M+H-H2O]+ 232.88200 127.8
[M+HCOO]- 294.88294 128.4
[M+CH3COO]- 308.89859 189.5
[M+Na-2H]- 270.85941 131.5
[M]+ 249.88419 136.0
[M]- 249.88529 136.0
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.