CID 99466

17046-34-3

Structural Information

Molecular Formula

C₉H₅Cl₂NOS₂

SMILES

C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C9H5Cl2NOS2/c10-6-2-1-5(3-7(6)11)12-8(13)4-15-9(12)14/h1-3H,4H2

InChIKey

NXAFOZVLSPGZQH-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 276.91898 Da
Monoisotopic Mass: 3.7
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]+	277.92626	154.2
[M+Na]+	299.90820	166.2
[M-H]-	275.91170	160.2
[M+NH4]+	294.95280	173.5
[M+K]+	315.88214	159.1
[M+H-H2O]+	259.91624	150.5
[M+HCOO]-	321.91718	157.2
[M+CH3COO]-	335.93283	166.6
[M+Na-2H]-	297.89365	151.1
[M]+	276.91843	157.4
[M]-	276.91953	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe