CID 60156258

2-(3,5-dichlorophenyl)-1,3-thiazolidine-4,5-dione

Structural Information

Molecular Formula
C9H5Cl2NO2S
SMILES
C1=C(C=C(C=C1Cl)Cl)C2NC(=O)C(=O)S2
InChI
InChI=1S/C9H5Cl2NO2S/c10-5-1-4(2-6(11)3-5)8-12-7(13)9(14)15-8/h1-3,8H,(H,12,13)
InChIKey
SWRLGZPONPMVPF-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-1,3-thiazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.9418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.94908 151.3
[M+Na]+ 283.93102 162.8
[M-H]- 259.93452 156.0
[M+NH4]+ 278.97562 170.2
[M+K]+ 299.90496 156.1
[M+H-H2O]+ 243.93906 147.2
[M+HCOO]- 305.94000 158.4
[M+CH3COO]- 319.95565 163.8
[M+Na-2H]- 281.91647 150.0
[M]+ 260.94125 153.4
[M]- 260.94235 153.4
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.