CID 154814242

2551118-05-7

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

C1C2CC1(OC(=O)N2)C3=CC=C(C=C3)Br

InChI

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

InChIKey

SBQXUHJEADIRBZ-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.9895 Da
Monoisotopic Mass: 2.3
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	147.5
[M+Na]+	289.978718	156.7
[M-H]-	265.982224	150.8
[M+NH4]+	285.023323	164.3
[M+K]+	305.952658	150.5
[M+H-H2O]+	249.986760	143.9
[M+HCOO]-	311.987701	157.7
[M+CH3COO]-	326.003351	160.1
[M+Na-2H]-	287.964166	160.3
[M]+	266.98895142	175.0
[M]-	266.99004858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.