CID 12136311

65060-93-7

Structural Information

Molecular Formula

C₅H₄BrNO₂

SMILES

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

InChI

InChI=1S/C5H4BrNO2/c1-7-4(8)2-3(6)5(7)9/h2H,1H3

InChIKey

UFUQBRMYERTCQH-UHFFFAOYSA-N

Compound name

3-bromo-1-methylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 188.94254 Da
Monoisotopic Mass: 0.4
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]+	189.94982	134.0
[M+Na]+	211.93176	136.3
[M+NH4]+	206.97636	138.1
[M+K]+	227.90570	138.7
[M-H]-	187.93526	132.7
[M+Na-2H]-	209.91721	135.2
[M]+	188.94199	132.5
[M]-	188.94309	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe