CID 320955

51964-22-8

Structural Information

Molecular Formula

C₉H₆FNO₂S

SMILES

C1C(=O)N(C(=O)S1)C2=CC=C(C=C2)F

InChI

InChI=1S/C9H6FNO2S/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2

InChIKey

GBIHEFJCOPTIGP-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 211.01033 Da
Monoisotopic Mass: 1.9
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]+	212.01761	144.6
[M+Na]+	233.99955	156.1
[M+NH4]+	229.04415	152.6
[M+K]+	249.97349	149.8
[M-H]-	210.00305	145.9
[M+Na-2H]-	231.98500	149.7
[M]+	211.00978	146.9
[M]-	211.01088	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe