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]+ 205.03178 142.3
[M+Na]+ 227.01372 151.0
[M-H]- 203.01722 150.4
[M+NH4]+ 222.05832 162.3
[M+K]+ 242.98766 149.3
[M+H-H2O]+ 187.02176 136.6
[M+HCOO]- 249.02270 162.4
[M+CH3COO]- 263.03835 180.1
[M+Na-2H]- 224.99917 145.9
[M]+ 204.02395 145.6
[M]- 204.02505 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.