CID 39236

N-(3-chlorophenyl)chloromaleimide

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC(=CC(=C1)Cl)N2C(=O)C=C(C2=O)Cl

InChI

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

InChIKey

VAPQHSHEGBPFDF-UHFFFAOYSA-N

Compound name

3-chloro-1-(3-chlorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.96973 Da
Monoisotopic Mass: 2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.