CID 79515714

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

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1C(=O)CN(C1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H8ClNO2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h1-4H,5-6H2

InChIKey

MMWJVXLNIILJGW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.02435 Da
Monoisotopic Mass: 1.7
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]+	210.03163	141.5
[M+Na]+	232.01357	151.8
[M-H]-	208.01707	147.3
[M+NH4]+	227.05817	161.8
[M+K]+	247.98751	147.3
[M+H-H2O]+	192.02161	135.4
[M+HCOO]-	254.02255	160.0
[M+CH3COO]-	268.03820	182.8
[M+Na-2H]-	229.99902	144.5
[M]+	209.02380	142.1
[M]-	209.02490	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe