CID 474276

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

Structural Information

Molecular Formula
C17H16OS2
SMILES
C1C(S1)CSC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16OS2/c18-17(20-12-15-11-19-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
DTCGEGFOCQCZFI-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2,2-diphenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06427 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07155 155.3
[M+Na]+ 323.05349 162.2
[M-H]- 299.05699 164.3
[M+NH4]+ 318.09809 166.0
[M+K]+ 339.02743 157.0
[M+H-H2O]+ 283.06153 147.6
[M+HCOO]- 345.06247 167.9
[M+CH3COO]- 359.07812 165.9
[M+Na-2H]- 321.03894 156.4
[M]+ 300.06372 158.7
[M]- 300.06482 158.7
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.