CID 24778124

944109-65-3

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

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

InChI

InChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3

InChIKey

RNDMOLOBKVJEMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 196.02911 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]+	197.03639	136.2
[M+Na]+	219.01833	150.1
[M+NH4]+	214.06293	146.2
[M+K]+	234.99227	144.5
[M-H]-	195.02183	138.6
[M+Na-2H]-	217.00378	142.0
[M]+	196.02856	139.2
[M]-	196.02966	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe