CID 897568

519169-56-3

Structural Information

Molecular Formula

C₁₅H₁₀BrNO₂

SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10BrNO2/c1-9-8-10(16)6-7-13(9)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3

InChIKey

UXOWCYKOWZBSCI-UHFFFAOYSA-N

Compound name

2-(4-bromo-2-methylphenyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.9895 Da
Monoisotopic Mass: 3.5
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]+	315.996776	163.4
[M+Na]+	337.978718	177.5
[M-H]-	313.982224	173.2
[M+NH4]+	333.023323	183.7
[M+K]+	353.952658	165.2
[M+H-H2O]+	297.986760	162.9
[M+HCOO]-	359.987701	183.6
[M+CH3COO]-	374.003351	178.4
[M+Na-2H]-	335.964166	167.6
[M]+	314.98895142	183.4
[M]-	314.99004858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.