CID 166439

74208-84-7

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CN1C(=O)CC(C1=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H10ClNO2/c1-13-10(14)6-9(11(13)15)7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3

InChIKey

IJYSKHYTJAIOPY-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-1-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.04001 Da
Monoisotopic Mass: 1.5
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]+	224.04729	145.6
[M+Na]+	246.02923	156.4
[M-H]-	222.03273	151.6
[M+NH4]+	241.07383	165.7
[M+K]+	262.00317	151.7
[M+H-H2O]+	206.03727	139.7
[M+HCOO]-	268.03821	163.7
[M+CH3COO]-	282.05386	187.0
[M+Na-2H]-	244.01468	147.4
[M]+	223.03946	147.0
[M]-	223.04056	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.