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	143.8
[M+Na]+	260.95216	157.2
[M-H]-	236.95566	152.3
[M+NH4]+	255.99676	166.8
[M+K]+	276.92610	147.7
[M+H-H2O]+	220.96020	144.8
[M+HCOO]-	282.96114	166.3
[M+CH3COO]-	296.97679	186.9
[M+Na-2H]-	258.93761	152.6
[M]+	237.96239	166.0
[M]-	237.96349	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe