CID 4606738

1628-19-9

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1C(C(=O)NC1=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

KYCZWRCDGYAFHA-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.02435 Da
Monoisotopic Mass: 1.3
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	141.8
[M+Na]+	232.01357	155.0
[M+NH4]+	227.05817	150.1
[M+K]+	247.98751	150.1
[M-H]-	208.01707	144.1
[M+Na-2H]-	229.99902	148.1
[M]+	209.02380	144.4
[M]-	209.02490	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe