CID 1239884

291536-35-1

Structural Information

Molecular Formula

C₁₀H₆FNO₂S

SMILES

C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)F

InChI

InChI=1S/C10H6FNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-

InChIKey

XQEXVSOHLCLCFH-YVMONPNESA-N

Compound name

(5Z)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 10
Patents: 223.01033 Da
Monoisotopic Mass: 2.3
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]+	224.01761	148.9
[M+Na]+	245.99955	159.6
[M+NH4]+	241.04415	156.0
[M+K]+	261.97349	153.3
[M-H]-	222.00305	149.4
[M+Na-2H]-	243.98500	153.0
[M]+	223.00978	150.7
[M]-	223.01088	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe