CID 1276529

154052-92-3

Structural Information

Molecular Formula
C10H7NO3S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)O
InChI
InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-
InChIKey
ARHIHDVVUHVQCP-YVMONPNESA-N
Compound name
(5Z)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

185
Patents

221.01466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 148.0
[M+Na]+ 244.00388 158.7
[M+NH4]+ 239.04848 155.0
[M+K]+ 259.97782 153.2
[M-H]- 220.00738 149.0
[M+Na-2H]- 241.98933 152.0
[M]+ 221.01411 149.9
[M]- 221.01521 149.9
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