CID 290086

18028-29-0

Structural Information

Molecular Formula

C₁₁H₁₁BrO₃

SMILES

COC1=CC(=C2CCC(=O)C2=C1OC)Br

InChI

InChI=1S/C11H11BrO3/c1-14-9-5-7(12)6-3-4-8(13)10(6)11(9)15-2/h5H,3-4H2,1-2H3

InChIKey

ACPYISCUOAQRMS-UHFFFAOYSA-N

Compound name

4-bromo-6,7-dimethoxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 269.98917 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]+	270.99645	153.0
[M+Na]+	292.97839	155.9
[M+NH4]+	288.02299	157.8
[M+K]+	308.95233	157.2
[M-H]-	268.98189	153.1
[M+Na-2H]-	290.96384	154.0
[M]+	269.98862	152.1
[M]-	269.98972	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe