CID 3017156

N-(2,4,6-tribromophenyl)maleimide

Structural Information

Molecular Formula

C₁₀H₄Br₃NO₂

SMILES

C1=CC(=O)N(C1=O)C2=C(C=C(C=C2Br)Br)Br

InChI

InChI=1S/C10H4Br3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

InChIKey

ONEIBTGSNPDDSB-UHFFFAOYSA-N

Compound name

1-(2,4,6-tribromophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 452
Patents: 406.7792 Da
Monoisotopic Mass: 3.1
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]+	407.78648	146.3
[M+Na]+	429.76842	155.7
[M-H]-	405.77192	153.5
[M+NH4]+	424.81302	160.8
[M+K]+	445.74236	141.1
[M+H-H2O]+	389.77646	161.5
[M+HCOO]-	451.77740	157.1
[M+CH3COO]-	465.79305	224.2
[M+Na-2H]-	427.75387	150.1
[M]+	406.77865	187.8
[M]-	406.77975	187.8

Literature stripe

literature stripe

Patent stripe

patents stripe