CID 75542

N-bromophthalimide

Structural Information

Molecular Formula

C₈H₄BrNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)Br

InChI

InChI=1S/C8H4BrNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H

InChIKey

MARXMDRWROUXMD-UHFFFAOYSA-N

Compound name

2-bromoisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 3352
Patents: 224.94254 Da
Monoisotopic Mass: 1.7
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]+	225.949816	136.8
[M+Na]+	247.931758	151.3
[M-H]-	223.935264	143.6
[M+NH4]+	242.976363	160.6
[M+K]+	263.905698	140.5
[M+H-H2O]+	207.939800	137.6
[M+HCOO]-	269.940741	158.1
[M+CH3COO]-	283.956391	184.8
[M+Na-2H]-	245.917206	144.2
[M]+	224.94199142	156.2
[M]-	224.94308858	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe