CID 60156258

3dcpt cpd

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: 3
References: 0
Patents: 260.9418 Da
Monoisotopic Mass: 3.0
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]+	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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.