CID 165450606

4-phenyl-1lambda6,2-thiazolidine-1,1,3-trione

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1C(C(=O)NS1(=O)=O)C2=CC=CC=C2
InChI
InChI=1S/C9H9NO3S/c11-9-8(6-14(12,13)10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
InChIKey
OPIYLGGBDRYZNU-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-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

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 141.4
[M+Na]+ 234.01954 151.4
[M-H]- 210.02304 146.3
[M+NH4]+ 229.06414 162.5
[M+K]+ 249.99348 147.6
[M+H-H2O]+ 194.02758 136.2
[M+HCOO]- 256.02852 158.8
[M+CH3COO]- 270.04417 177.0
[M+Na-2H]- 232.00499 144.1
[M]+ 211.02977 141.2
[M]- 211.03087 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.