CID 4089075

4-bromo-5-(4-methoxyphenyl)-2(5h)-furanone

Structural Information

Molecular Formula

C₁₁H₉BrO₃

SMILES

COC1=CC=C(C=C1)C2C(=CC(=O)O2)Br

InChI

InChI=1S/C11H9BrO3/c1-14-8-4-2-7(3-5-8)11-9(12)6-10(13)15-11/h2-6,11H,1H3

InChIKey

ZBZWVGNHJHDIEH-UHFFFAOYSA-N

Compound name

3-bromo-2-(4-methoxyphenyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 267.9735 Da
Monoisotopic Mass: 2.3
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]+	268.98078	151.5
[M+Na]+	290.96272	155.5
[M+NH4]+	286.00732	156.3
[M+K]+	306.93666	156.9
[M-H]-	266.96622	154.2
[M+Na-2H]-	288.94817	154.8
[M]+	267.97295	151.7
[M]-	267.97405	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe