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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.980846	155.9
[M+Na]+	291.962788	167.5
[M-H]-	267.966294	162.2
[M+NH4]+	287.007393	175.2
[M+K]+	307.936728	160.1
[M+H-H2O]+	251.970830	151.3
[M+HCOO]-	313.971771	163.5
[M+CH3COO]-	327.987421	168.4
[M+Na-2H]-	289.948236	152.5
[M]+	268.97302142	158.4
[M]-	268.97411858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.