CID 100339

Rhodanine, 3-(p-iodophenyl)-

Structural Information

Molecular Formula

C₉H₆INOS₂

SMILES

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

InChI

InChI=1S/C9H6INOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2

InChIKey

VISGEZPFIGHFLQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 334.89355 Da
Monoisotopic Mass: 3.1
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]+	335.90083	157.8
[M+Na]+	357.88277	162.2
[M+NH4]+	352.92737	162.7
[M+K]+	373.85671	156.7
[M-H]-	333.88627	155.0
[M+Na-2H]-	355.86822	150.5
[M]+	334.89300	157.4
[M]-	334.89410	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe