CID 474260

S-(thiiran-2-ylmethyl) 2-chloroethanethioate

Structural Information

Molecular Formula
C5H7ClOS2
SMILES
C1C(S1)CSC(=O)CCl
InChI
InChI=1S/C5H7ClOS2/c6-1-5(7)9-3-4-2-8-4/h4H,1-3H2
InChIKey
VLNVKHGTJRLWSW-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2-chloroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.96269 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.96997 123.7
[M+Na]+ 204.95191 132.7
[M-H]- 180.95541 128.1
[M+NH4]+ 199.99651 140.1
[M+K]+ 220.92585 128.5
[M+H-H2O]+ 164.95995 118.6
[M+HCOO]- 226.96089 132.3
[M+CH3COO]- 240.97654 180.2
[M+Na-2H]- 202.93736 125.0
[M]+ 181.96214 129.6
[M]- 181.96324 129.6
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.