CID 211731

Rhodanine, 3-(p-chlorobenzyl)-

Structural Information

Molecular Formula

C₁₀H₈ClNOS₂

SMILES

C1C(=O)N(C(=S)S1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H8ClNOS2/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2

InChIKey

HMIQWKDBBGWKNX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 256.97357 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]+	257.98085	153.8
[M+Na]+	279.96279	166.6
[M+NH4]+	275.00739	163.4
[M+K]+	295.93673	156.8
[M-H]-	255.96629	157.4
[M+Na-2H]-	277.94824	159.0
[M]+	256.97302	157.9
[M]-	256.97412	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe