CID 3457221

N-benzyl-2,3-dibromomaleimide

Structural Information

Molecular Formula

C₁₁H₇Br₂NO₂

SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Br)Br

InChI

InChI=1S/C11H7Br2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

DZYLZHRCCNTQCS-UHFFFAOYSA-N

Compound name

1-benzyl-3,4-dibromopyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 342.88434 Da
Monoisotopic Mass: 2.8
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]+	343.89162	150.2
[M+Na]+	365.87356	162.5
[M-H]-	341.87706	159.0
[M+NH4]+	360.91816	168.7
[M+K]+	381.84750	147.3
[M+H-H2O]+	325.88160	158.2
[M+HCOO]-	387.88254	166.7
[M+CH3COO]-	401.89819	208.6
[M+Na-2H]-	363.85901	154.9
[M]+	342.88379	184.9
[M]-	342.88489	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe