CID 3054949

71823-53-5

Structural Information

Molecular Formula

C₁₆H₁₄O

SMILES

CC1CC(=O)C2=C1C=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14O/c1-11-9-16(17)15-10-13(7-8-14(11)15)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3

InChIKey

MGBNTDJKXLILSH-UHFFFAOYSA-N

Compound name

3-methyl-6-phenyl-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.10446 Da
Monoisotopic Mass: 3.6
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]+	223.111736	148.7
[M+Na]+	245.093678	158.0
[M-H]-	221.097184	156.9
[M+NH4]+	240.138283	170.2
[M+K]+	261.067618	153.2
[M+H-H2O]+	205.101720	142.4
[M+HCOO]-	267.102661	172.1
[M+CH3COO]-	281.118311	162.6
[M+Na-2H]-	243.079126	153.0
[M]+	222.10391142	148.5
[M]-	222.10500858	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.