CID 211721

23522-48-7

Structural Information

Molecular Formula

C₁₀H₈ClNOS₂

SMILES

CC1C(=O)N(C(=S)S1)C2=CC=CC=C2Cl

InChI

InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-5-3-2-4-7(8)11/h2-6H,1H3

InChIKey

LGUPLRAIWPKAKF-UHFFFAOYSA-N

Compound name

3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.97357 Da
Monoisotopic Mass: 3.4
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]+	257.98085	151.7
[M+Na]+	279.96279	163.3
[M-H]-	255.96629	158.1
[M+NH4]+	275.00739	171.5
[M+K]+	295.93673	156.8
[M+H-H2O]+	239.97083	147.2
[M+HCOO]-	301.97177	159.4
[M+CH3COO]-	315.98742	164.6
[M+Na-2H]-	277.94824	148.8
[M]+	256.97302	154.6
[M]-	256.97412	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.