CID 60386

Brl 649

Structural Information

Molecular Formula
C10H9ClOS2
SMILES
C1C(S1)CSC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClOS2/c11-8-3-1-7(2-4-8)10(12)14-6-9-5-13-9/h1-4,9H,5-6H2
InChIKey
SZLZSEGHHKJSBT-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 4-chlorobenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97833 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98561 149.6
[M+Na]+ 266.96755 163.6
[M+NH4]+ 262.01215 160.1
[M+K]+ 282.94149 154.1
[M-H]- 242.97105 160.1
[M+Na-2H]- 264.95300 158.4
[M]+ 243.97778 156.9
[M]- 243.97888 156.9
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.