CID 82625292

3-(2-bromophenyl)piperidine-2,6-dione

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

C1CC(=O)NC(=O)C1C2=CC=CC=C2Br

InChI

InChI=1S/C11H10BrNO2/c12-9-4-2-1-3-7(9)8-5-6-10(14)13-11(8)15/h1-4,8H,5-6H2,(H,13,14,15)

InChIKey

AWTTVMUBBLVNPH-UHFFFAOYSA-N

Compound name

3-(2-bromophenyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.9895 Da
Monoisotopic Mass: 1.7
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]+	267.996776	149.6
[M+Na]+	289.978718	160.0
[M-H]-	265.982224	156.0
[M+NH4]+	285.023323	167.7
[M+K]+	305.952658	148.0
[M+H-H2O]+	249.986760	148.9
[M+HCOO]-	311.987701	166.4
[M+CH3COO]-	326.003351	190.0
[M+Na-2H]-	287.964166	154.7
[M]+	266.98895142	163.6
[M]-	266.99004858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe