CID 324639

387-27-9

Structural Information

Molecular Formula

C₉H₆FNOS₂

SMILES

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

InChI

InChI=1S/C9H6FNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2

InChIKey

KQOPBWMREOTAOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 226.98749 Da
Monoisotopic Mass: 2.5
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]+	227.99477	147.1
[M+Na]+	249.97671	158.2
[M+NH4]+	245.02131	155.7
[M+K]+	265.95065	149.6
[M-H]-	225.98021	149.1
[M+Na-2H]-	247.96216	151.6
[M]+	226.98694	150.0
[M]-	226.98804	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe