CID 2735451

23489-36-3

Structural Information

Molecular Formula

C₁₀H₇BrO₂

SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CBr

InChI

InChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2

InChIKey

NVRNCBWTEDOAQA-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-2-yl)-2-bromoethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 357
Patents: 237.96294 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]+	238.97022	141.7
[M+Na]+	260.95216	146.1
[M+NH4]+	255.99676	147.2
[M+K]+	276.92610	147.3
[M-H]-	236.95566	143.6
[M+Na-2H]-	258.93761	145.1
[M]+	237.96239	141.7
[M]-	237.96349	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe