CID 11325

N-(2-bromoethyl)phthalimide

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

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

InChI

InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

CHZXTOCAICMPQR-UHFFFAOYSA-N

Compound name

2-(2-bromoethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4090
Patents: 252.97385 Da
Monoisotopic Mass: 2.2
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]+	253.98113	146.3
[M+Na]+	275.96307	159.9
[M-H]-	251.96657	152.7
[M+NH4]+	271.00767	169.0
[M+K]+	291.93701	148.6
[M+H-H2O]+	235.97111	146.6
[M+HCOO]-	297.97205	166.9
[M+CH3COO]-	311.98770	190.5
[M+Na-2H]-	273.94852	152.5
[M]+	252.97330	166.3
[M]-	252.97440	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe