CID 474288

S-(thiiran-2-ylmethyl) 2-chloro-2-phenyl-ethanethioate

Structural Information

Molecular Formula
C11H11ClOS2
SMILES
C1C(S1)CSC(=O)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H11ClOS2/c12-10(8-4-2-1-3-5-8)11(13)15-7-9-6-14-9/h1-5,9-10H,6-7H2
InChIKey
FNELBCJWXPBYTK-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) 2-chloro-2-phenylethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00128 139.7
[M+Na]+ 280.98322 147.8
[M-H]- 256.98672 146.6
[M+NH4]+ 276.02782 153.1
[M+K]+ 296.95716 142.6
[M+H-H2O]+ 240.99126 134.0
[M+HCOO]- 302.99220 147.9
[M+CH3COO]- 317.00785 193.2
[M+Na-2H]- 278.96867 140.6
[M]+ 257.99345 145.4
[M]- 257.99455 145.4
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.