CID 474250

S-(thiiran-2-ylmethyl) n-phenylcarbamothioate

Structural Information

Molecular Formula
C10H11NOS2
SMILES
C1C(S1)CSC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C10H11NOS2/c12-10(14-7-9-6-13-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKey
DAWQHTBFEOUJQU-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02821 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03549 136.8
[M+Na]+ 248.01743 144.7
[M-H]- 224.02093 143.6
[M+NH4]+ 243.06203 150.5
[M+K]+ 263.99137 139.9
[M+H-H2O]+ 208.02547 129.9
[M+HCOO]- 270.02641 151.4
[M+CH3COO]- 284.04206 190.0
[M+Na-2H]- 246.00288 139.8
[M]+ 225.02766 140.2
[M]- 225.02876 140.2
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.