CID 37818987

436803-36-0

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

COC1=C(C2=C(C=C1)C(=O)CC2)Br

InChI

InChI=1S/C10H9BrO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3

InChIKey

ZVBMFHJZYVGNSX-UHFFFAOYSA-N

Compound name

4-bromo-5-methoxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 239.97859 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]+	240.98587	145.6
[M+Na]+	262.96781	148.8
[M+NH4]+	258.01241	151.1
[M+K]+	278.94175	149.7
[M-H]-	238.97131	146.1
[M+Na-2H]-	260.95326	147.5
[M]+	239.97804	144.9
[M]-	239.97914	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe