CID 223379

5411-61-0

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

COC1=C2C(=C(C=C1)Br)CCC2=O

InChI

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

InChIKey

OJDMKCLDADYDRL-UHFFFAOYSA-N

Compound name

4-bromo-7-methoxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 21
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

literature stripe

Patent stripe

patents stripe