CID 205104

S-phenyl furan-2-carbothioate

Structural Information

Molecular Formula
C11H8O2S
SMILES
C1=CC=C(C=C1)SC(=O)C2=CC=CO2
InChI
InChI=1S/C11H8O2S/c12-11(10-7-4-8-13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKey
XCQROCMQSAUOTM-UHFFFAOYSA-N
Compound name
S-phenyl furan-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0245 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.031776 142.3
[M+Na]+ 227.013718 151.0
[M-H]- 203.017224 150.4
[M+NH4]+ 222.058323 162.3
[M+K]+ 242.987658 149.3
[M+H-H2O]+ 187.021760 136.6
[M+HCOO]- 249.022701 162.4
[M+CH3COO]- 263.038351 180.1
[M+Na-2H]- 224.999166 145.9
[M]+ 204.02395142 145.6
[M]- 204.02504858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.