CID 12463511

4-(4-bromophenyl)piperidine-2,6-dione

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

C1C(CC(=O)NC1=O)C2=CC=C(C=C2)Br

InChI

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

InChIKey

SNIAVEPVHCNSOA-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 266.9895 Da
Monoisotopic Mass: 1.4
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]+	267.99678	149.6
[M+Na]+	289.97872	160.0
[M-H]-	265.98222	156.0
[M+NH4]+	285.02332	167.7
[M+K]+	305.95266	148.0
[M+H-H2O]+	249.98676	148.9
[M+HCOO]-	311.98770	166.4
[M+CH3COO]-	326.00335	190.0
[M+Na-2H]-	287.96417	154.7
[M]+	266.98895	163.6
[M]-	266.99005	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe