CID 10105727

151427-19-9

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

C1COC2=C1C=C(C=C2)C(=O)CBr

InChI

InChI=1S/C10H9BrO2/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5H,3-4,6H2

InChIKey

CZRHIPGIDWESKD-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 239.97859 Da
Monoisotopic Mass: 2.4
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]+	240.98587	147.3
[M+Na]+	262.96781	158.7
[M-H]-	238.97131	155.0
[M+NH4]+	258.01241	170.0
[M+K]+	278.94175	149.4
[M+H-H2O]+	222.97585	148.2
[M+HCOO]-	284.97679	167.0
[M+CH3COO]-	298.99244	187.4
[M+Na-2H]-	260.95326	154.2
[M]+	239.97804	166.7
[M]-	239.97914	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe