CID 200610

2319-45-1

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CN1C(=O)CC(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H10BrNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3

InChIKey

PGMFLJGIWUORFE-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1-methylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.9895 Da
Monoisotopic Mass: 1.5
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]+	267.996776	149.9
[M+Na]+	289.978718	162.8
[M-H]-	265.982224	158.5
[M+NH4]+	285.023323	171.0
[M+K]+	305.952658	151.6
[M+H-H2O]+	249.986760	149.7
[M+HCOO]-	311.987701	170.3
[M+CH3COO]-	326.003351	193.0
[M+Na-2H]-	287.964166	153.4
[M]+	266.98895142	168.1
[M]-	266.99004858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.