CID 3848213

67382-14-3

Structural Information

Molecular Formula

C₁₁H₉BrO₂

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CBr

InChI

InChI=1S/C11H9BrO2/c1-7-8-4-2-3-5-10(8)14-11(7)9(13)6-12/h2-5H,6H2,1H3

InChIKey

JXQIYMVMYGFMFK-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 251.97859 Da
Monoisotopic Mass: 3.5
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]+	252.98587	145.7
[M+Na]+	274.96781	150.2
[M+NH4]+	270.01241	151.1
[M+K]+	290.94175	151.4
[M-H]-	250.97131	147.6
[M+Na-2H]-	272.95326	148.7
[M]+	251.97804	145.8
[M]-	251.97914	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe