CID 263122

2674-45-5

Structural Information

Molecular Formula

C₂₁H₁₆O₂

SMILES

C1C2=CC=CC=C2C(=O)OC1(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16O2/c22-20-19-14-8-7-9-16(19)15-21(23-20,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2

InChIKey

OXKYDSBSPQCICV-UHFFFAOYSA-N

Compound name

3,3-diphenyl-4H-isochromen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 300.11502 Da
Monoisotopic Mass: 4.8
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]+	301.12230	170.6
[M+Na]+	323.10424	188.8
[M+NH4]+	318.14884	182.5
[M+K]+	339.07818	176.6
[M-H]-	299.10774	180.5
[M+Na-2H]-	321.08969	183.7
[M]+	300.11447	176.6
[M]-	300.11557	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe