CID 616873

2-(2-(bromomethyl)phenyl)isoindoline-1,3-dione

Structural Information

Molecular Formula

C₁₅H₁₀BrNO₂

SMILES

C1=CC=C(C(=C1)CBr)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10BrNO2/c16-9-10-5-1-4-8-13(10)17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2

InChIKey

NRIHZIKJFGRZGX-UHFFFAOYSA-N

Compound name

2-[2-(bromomethyl)phenyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 314.9895 Da
Monoisotopic Mass: 3.0
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	163.8
[M+Na]+	337.978718	177.0
[M-H]-	313.982224	173.3
[M+NH4]+	333.023323	183.9
[M+K]+	353.952658	164.8
[M+H-H2O]+	297.986760	163.2
[M+HCOO]-	359.987701	184.1
[M+CH3COO]-	374.003351	178.5
[M+Na-2H]-	335.964166	168.6
[M]+	314.98895142	183.5
[M]-	314.99004858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe