CID 6482981

2-(2-chlorophenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂S

SMILES

C1C(=O)N(C(S1)C2=CC=CC=C2Cl)CC3=CC=CO3

InChI

InChI=1S/C14H12ClNO2S/c15-12-6-2-1-5-11(12)14-16(13(17)9-19-14)8-10-4-3-7-18-10/h1-7,14H,8-9H2

InChIKey

CXVVIPRYRWRSEC-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 293.02774 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]+	294.035016	166.2
[M+Na]+	316.016958	176.6
[M-H]-	292.020464	176.4
[M+NH4]+	311.061563	184.3
[M+K]+	331.990898	172.3
[M+H-H2O]+	276.025000	160.5
[M+HCOO]-	338.025941	179.8
[M+CH3COO]-	352.041591	179.2
[M+Na-2H]-	314.002406	164.2
[M]+	293.02719142	170.5
[M]-	293.02828858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.