CID 243249

1-(2,4-dichlorophenyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)N2C(=O)C=CC2=O

InChI

InChI=1S/C10H5Cl2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5H

InChIKey

BZUKGARCPDEBLG-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 240.96973 Da
Monoisotopic Mass: 2.3
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]+	241.97701	146.5
[M+Na]+	263.95895	158.9
[M-H]-	239.96245	152.1
[M+NH4]+	259.00355	166.2
[M+K]+	279.93289	153.0
[M+H-H2O]+	223.96699	141.1
[M+HCOO]-	285.96793	161.1
[M+CH3COO]-	299.98358	188.3
[M+Na-2H]-	261.94440	148.9
[M]+	240.96918	149.9
[M]-	240.97028	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe