CID 101305

N-(4-bromophenyl)phthalimide

Structural Information

Molecular Formula

C₁₄H₈BrNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H

InChIKey

DNQCPYWSXMATIN-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 56
Patents: 300.97385 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]+	301.98113	159.1
[M+Na]+	323.96307	172.8
[M-H]-	299.96657	168.8
[M+NH4]+	319.00767	179.7
[M+K]+	339.93701	160.8
[M+H-H2O]+	283.97111	158.7
[M+HCOO]-	345.97205	179.8
[M+CH3COO]-	359.98770	174.2
[M+Na-2H]-	321.94852	164.5
[M]+	300.97330	178.5
[M]-	300.97440	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe