CID 1712168

23517-83-1

Structural Information

Molecular Formula
C11H8ClNOS2
SMILES
CN1C(=O)/C(=C\C2=CC=C(C=C2)Cl)/SC1=S
InChI
InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6+
InChIKey
LBRYJAAWKRWXCV-RMKNXTFCSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.97357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98085 158.9
[M+Na]+ 291.96279 171.9
[M+NH4]+ 287.00739 168.1
[M+K]+ 307.93673 161.8
[M-H]- 267.96629 162.2
[M+Na-2H]- 289.94824 163.4
[M]+ 268.97302 162.9
[M]- 268.97412 162.9
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

No patent data available for this compound.