CID 99599

Rhodanine, 3-(m-chlorophenyl)-

Structural Information

Molecular Formula

C₉H₆ClNOS₂

SMILES

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

InChI

InChI=1S/C9H6ClNOS2/c10-6-2-1-3-7(4-6)11-8(12)5-14-9(11)13/h1-4H,5H2

InChIKey

YQPPXOAIYFGXPU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 242.95793 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]+	243.96521	149.7
[M+Na]+	265.94715	162.7
[M+NH4]+	260.99175	159.4
[M+K]+	281.92109	153.0
[M-H]-	241.95065	153.3
[M+Na-2H]-	263.93260	155.0
[M]+	242.95738	153.7
[M]-	242.95848	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe