CID 94776

2464-33-7

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3

InChIKey

KPYGHQALDAITMY-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 237.07898 Da
Monoisotopic Mass: 2.8
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]+	238.08626	152.1
[M+Na]+	260.06820	167.3
[M+NH4]+	255.11280	161.1
[M+K]+	276.04214	161.2
[M-H]-	236.07170	156.2
[M+Na-2H]-	258.05365	159.7
[M]+	237.07843	155.4
[M]-	237.07953	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe