CID 3055722

72786-85-7

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

CC1(OC(=CC(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O3/c1-17(14-10-6-3-7-11-14)19-15(12-16(18)20-17)13-8-4-2-5-9-13/h2-12H,1H3

InChIKey

OIHDXRBWXKZXEL-UHFFFAOYSA-N

Compound name

2-methyl-2,6-diphenyl-1,3-dioxin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.0943 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]+	267.10158	159.9
[M+Na]+	289.08352	168.0
[M-H]-	265.08702	171.2
[M+NH4]+	284.12812	175.2
[M+K]+	305.05746	166.8
[M+H-H2O]+	249.09156	151.6
[M+HCOO]-	311.09250	180.8
[M+CH3COO]-	325.10815	172.8
[M+Na-2H]-	287.06897	167.8
[M]+	266.09375	160.4
[M]-	266.09485	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.