CID 3057806

74208-83-6

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

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

InChI

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

InChIKey

YUWRQLXIDASZOT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	210.031626	142.2
[M+Na]+	232.013568	152.0
[M-H]-	208.017074	146.6
[M+NH4]+	227.058173	161.8
[M+K]+	247.987508	146.6
[M+H-H2O]+	192.021610	136.4
[M+HCOO]-	254.022551	159.1
[M+CH3COO]-	268.038201	180.2
[M+Na-2H]-	229.999016	144.7
[M]+	209.02380142	141.0
[M]-	209.02489858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.