CID 4415860

52313-14-1

Structural Information

Molecular Formula

C₁₇H₁₄O₂

SMILES

CC1C(=C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O2/c1-12-15(13-8-4-2-5-9-13)16(17(18)19-12)14-10-6-3-7-11-14/h2-12H,1H3

InChIKey

DDMADUZLLJZTOA-UHFFFAOYSA-N

Compound name

2-methyl-3,4-diphenyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.09938 Da
Monoisotopic Mass: 3.4
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]+	251.10666	155.2
[M+Na]+	273.08860	164.1
[M-H]-	249.09210	166.4
[M+NH4]+	268.13320	172.9
[M+K]+	289.06254	160.8
[M+H-H2O]+	233.09664	148.1
[M+HCOO]-	295.09758	179.2
[M+CH3COO]-	309.11323	169.0
[M+Na-2H]-	271.07405	159.1
[M]+	250.09883	156.1
[M]-	250.09993	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe