CID 474269

S-(thiiran-2-ylmethyl) 2-phenylethanethioate

Structural Information

Molecular Formula
C11H12OS2
SMILES
C1C(S1)CSC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H12OS2/c12-11(14-8-10-7-13-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
SUGCKPSAVAIPJK-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2-phenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03296 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04024 138.2
[M+Na]+ 247.02218 146.5
[M-H]- 223.02568 145.1
[M+NH4]+ 242.06678 152.2
[M+K]+ 262.99612 142.1
[M+H-H2O]+ 207.03022 131.3
[M+HCOO]- 269.03116 151.6
[M+CH3COO]- 283.04681 189.0
[M+Na-2H]- 245.00763 140.0
[M]+ 224.03241 142.6
[M]- 224.03351 142.6
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.