CID 221043

3-phenylthiazolidine-2,4-dione

Structural Information

Molecular Formula
C9H7NO2S
SMILES
C1C(=O)N(C(=O)S1)C2=CC=CC=C2
InChI
InChI=1S/C9H7NO2S/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
WTGPITKQSNYMJM-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

657
Patents

193.01974 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 140.0
[M+Na]+ 216.00896 152.2
[M+NH4]+ 211.05356 148.9
[M+K]+ 231.98290 145.7
[M-H]- 192.01246 142.9
[M+Na-2H]- 213.99441 146.3
[M]+ 193.01919 142.9
[M]- 193.02029 142.9
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

patents stripe