CID 20278194

98054-68-3

Structural Information

Molecular Formula

C₁₁H₁₀FNO₂

SMILES

CC1(CC(=O)NC1=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H10FNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)

InChIKey

OUTUPNINQIXCJZ-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-3-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.06955 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]+	208.07683	140.9
[M+Na]+	230.05877	150.7
[M-H]-	206.06227	144.5
[M+NH4]+	225.10337	161.9
[M+K]+	246.03271	146.7
[M+H-H2O]+	190.06681	134.3
[M+HCOO]-	252.06775	161.3
[M+CH3COO]-	266.08340	181.6
[M+Na-2H]-	228.04422	144.3
[M]+	207.06900	137.4
[M]-	207.07010	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe