CID 18155

2,3-dibromo-n-methylmaleimide

Structural Information

Molecular Formula

C₅H₃Br₂NO₂

SMILES

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

InChI

InChI=1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3

InChIKey

CKITYUQKOJMMOI-UHFFFAOYSA-N

Compound name

3,4-dibromo-1-methylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 253
Patents: 266.85306 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]+	267.86034	130.0
[M+Na]+	289.84228	143.9
[M-H]-	265.84578	136.8
[M+NH4]+	284.88688	151.2
[M+K]+	305.81622	129.1
[M+H-H2O]+	249.85032	138.5
[M+HCOO]-	311.85126	146.9
[M+CH3COO]-	325.86691	198.4
[M+Na-2H]-	287.82773	136.0
[M]+	266.85251	164.7
[M]-	266.85361	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe