CID 57366998

869467-25-4

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1C(S(=O)(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO3S/c11-9-6-8(14(12,13)10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKey
UYQRVATUDIMDJN-UHFFFAOYSA-N
Compound name
1,1-dioxo-5-phenyl-1,2-thiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03032 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.037596 141.4
[M+Na]+ 234.019538 151.4
[M-H]- 210.023044 146.3
[M+NH4]+ 229.064143 162.5
[M+K]+ 249.993478 147.6
[M+H-H2O]+ 194.027580 136.2
[M+HCOO]- 256.028521 158.8
[M+CH3COO]- 270.044171 177.0
[M+Na-2H]- 232.004986 144.1
[M]+ 211.02977142 141.2
[M]- 211.03086858 141.2
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.