CID 1241313

5-(2,4-dichlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C10H5Cl2NOS2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-3+
InChIKey
DUTNBAQMMZPIKM-FPYGCLRLSA-N
Compound name
(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

288.91898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.92626 158.3
[M+Na]+ 311.90820 169.7
[M-H]- 287.91170 162.8
[M+NH4]+ 306.95280 176.4
[M+K]+ 327.88214 160.9
[M+H-H2O]+ 271.91624 154.9
[M+HCOO]- 333.91718 159.7
[M+CH3COO]- 347.93283 169.6
[M+Na-2H]- 309.89365 154.4
[M]+ 288.91843 159.3
[M]- 288.91953 159.3
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

patents stripe