CID 474265

S-(thiiran-2-ylmethyl) benzenecarbothioate

Structural Information

Molecular Formula
C10H10OS2
SMILES
C1C(S1)CSC(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10OS2/c11-10(13-7-9-6-12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
CYGHXZJEFXHACK-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0173 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02458 134.3
[M+Na]+ 233.00652 143.0
[M-H]- 209.01002 141.4
[M+NH4]+ 228.05112 148.9
[M+K]+ 248.98046 138.8
[M+H-H2O]+ 193.01456 127.6
[M+HCOO]- 255.01550 148.0
[M+CH3COO]- 269.03115 186.2
[M+Na-2H]- 230.99197 136.5
[M]+ 210.01675 138.4
[M]- 210.01785 138.4
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.