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 155.9
[M+Na]+ 291.96279 167.5
[M-H]- 267.96629 162.2
[M+NH4]+ 287.00739 175.2
[M+K]+ 307.93673 160.1
[M+H-H2O]+ 251.97083 151.3
[M+HCOO]- 313.97177 163.5
[M+CH3COO]- 327.98742 168.4
[M+Na-2H]- 289.94824 152.5
[M]+ 268.97302 158.4
[M]- 268.97412 158.4
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.