CID 65706

Brosuximide

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

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

InChI

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

InChIKey

UTVDIOAGFGTMTM-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 32
Patents: 252.97385 Da
Monoisotopic Mass: 1.3
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	147.1
[M+Na]+	275.96307	159.1
[M-H]-	251.96657	154.2
[M+NH4]+	271.00767	167.7
[M+K]+	291.93701	147.2
[M+H-H2O]+	235.97111	147.0
[M+HCOO]-	297.97205	166.4
[M+CH3COO]-	311.98770	186.7
[M+Na-2H]-	273.94852	151.2
[M]+	252.97330	162.8
[M]-	252.97440	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe