CID 474267

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

Structural Information

Molecular Formula
C5H6Cl2OS2
SMILES
C1C(S1)CSC(=O)C(Cl)Cl
InChI
InChI=1S/C5H6Cl2OS2/c6-4(7)5(8)10-2-3-1-9-3/h3-4H,1-2H2
InChIKey
QDHZWNIBIFKOCD-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2,2-dichloroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.9237 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.93098 124.8
[M+Na]+ 238.91292 133.2
[M-H]- 214.91642 128.7
[M+NH4]+ 233.95752 140.1
[M+K]+ 254.88686 128.4
[M+H-H2O]+ 198.92096 120.9
[M+HCOO]- 260.92190 127.8
[M+CH3COO]- 274.93755 185.4
[M+Na-2H]- 236.89837 125.0
[M]+ 215.92315 130.7
[M]- 215.92425 130.7
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.