CID 13662

N-phenylmaleimide

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

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

InChI

InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H

InChIKey

HIDBROSJWZYGSZ-UHFFFAOYSA-N

Compound name

1-phenylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 110
References: 64938
Patents: 173.04768 Da
Monoisotopic Mass: 1.1
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]+	174.054956	132.5
[M+Na]+	196.036898	142.2
[M-H]-	172.040404	138.6
[M+NH4]+	191.081503	153.3
[M+K]+	212.010838	139.5
[M+H-H2O]+	156.044940	125.8
[M+HCOO]-	218.045881	157.2
[M+CH3COO]-	232.061531	177.5
[M+Na-2H]-	194.022346	137.9
[M]+	173.04713142	132.3
[M]-	173.04822858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe