CID 79515885

1-(2-fluorophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1C(=O)CN(C1=O)C2=CC=CC=C2F

InChI

InChI=1S/C10H8FNO2/c11-8-3-1-2-4-9(8)12-6-7(13)5-10(12)14/h1-4H,5-6H2

InChIKey

UKZDJGWCZCBDCJ-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)pyrrolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.05391 Da
Monoisotopic Mass: 1.1
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]+	194.061186	136.5
[M+Na]+	216.043128	146.1
[M-H]-	192.046634	141.2
[M+NH4]+	211.087733	156.6
[M+K]+	232.017068	143.1
[M+H-H2O]+	176.051170	129.1
[M+HCOO]-	238.052111	158.7
[M+CH3COO]-	252.067761	181.7
[M+Na-2H]-	214.028576	139.6
[M]+	193.05336142	134.2
[M]-	193.05445858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.