CID 10512748

54450-20-3

Structural Information

Molecular Formula

SMILES

C1C(=O)C2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C8H5BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2

InChIKey

UXUCDQLDYILHQI-UHFFFAOYSA-N

Compound name

5-bromo-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 211.9473 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]+	212.95458	136.4
[M+Na]+	234.93652	140.1
[M+NH4]+	229.98112	142.2
[M+K]+	250.91046	141.6
[M-H]-	210.94002	138.2
[M+Na-2H]-	232.92197	138.7
[M]+	211.94675	136.2
[M]-	211.94785	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe