CID 708301

19844-27-0

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC(=C(C=C1N2C(=O)C=CC2=O)Cl)Cl

InChI

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

InChIKey

PJBXBDSTURWRBO-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
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]+	241.977006	146.5
[M+Na]+	263.958948	158.9
[M-H]-	239.962454	152.1
[M+NH4]+	259.003553	166.2
[M+K]+	279.932888	153.0
[M+H-H2O]+	223.966990	141.1
[M+HCOO]-	285.967931	161.1
[M+CH3COO]-	299.983581	188.3
[M+Na-2H]-	261.944396	148.9
[M]+	240.96918142	149.9
[M]-	240.97027858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe