CID 21611

N-(3-bromopropyl)phthalimide

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

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

InChI

InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2

InChIKey

VKJCJJYNVIYVQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 5047
Patents: 266.9895 Da
Monoisotopic Mass: 2.6
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]+	267.996776	151.0
[M+Na]+	289.978718	164.1
[M-H]-	265.982224	157.2
[M+NH4]+	285.023323	173.1
[M+K]+	305.952658	152.6
[M+H-H2O]+	249.986760	151.1
[M+HCOO]-	311.987701	171.2
[M+CH3COO]-	326.003351	193.3
[M+Na-2H]-	287.964166	156.6
[M]+	266.98895142	171.3
[M]-	266.99004858	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe