CID 44630149

N-bromomethyl-2,3-dichloromaleimide

Structural Information

Molecular Formula

C₅H₂BrCl₂NO₂

SMILES

C(N1C(=O)C(=C(C1=O)Cl)Cl)Br

InChI

InChI=1S/C5H2BrCl2NO2/c6-1-9-4(10)2(7)3(8)5(9)11/h1H2

InChIKey

GQMLTDXARRCATE-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3,4-dichloropyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 597
Patents: 256.8646 Da
Monoisotopic Mass: 2.0
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]+	257.87188	137.5
[M+Na]+	279.85382	154.2
[M-H]-	255.85732	143.0
[M+NH4]+	274.89842	160.5
[M+K]+	295.82776	140.7
[M+H-H2O]+	239.86186	139.5
[M+HCOO]-	301.86280	150.3
[M+CH3COO]-	315.87845	188.1
[M+Na-2H]-	277.83927	142.1
[M]+	256.86405	159.1
[M]-	256.86515	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe