CID 265738

1-(4-bromophenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2

InChIKey

QDJNZUVVZSTBJL-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 252.97385 Da
Monoisotopic Mass: 1.2
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]+	253.98113	149.9
[M+Na]+	275.96307	153.1
[M+NH4]+	271.00767	154.4
[M+K]+	291.93701	154.4
[M-H]-	251.96657	150.8
[M+Na-2H]-	273.94852	152.9
[M]+	252.97330	149.3
[M]-	252.97440	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe