CID 211126

22360-47-0

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

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

InChI

InChI=1S/C15H12O2/c16-14-10-12-8-4-5-9-13(12)15(17-14)11-6-2-1-3-7-11/h1-9,15H,10H2

InChIKey

PIXDKMMAYYXXGM-UHFFFAOYSA-N

Compound name

1-phenyl-1,4-dihydroisochromen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.08372 Da
Monoisotopic Mass: 3.0
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]+	225.09100	147.8
[M+Na]+	247.07294	164.1
[M+NH4]+	242.11754	158.1
[M+K]+	263.04688	155.6
[M-H]-	223.07644	155.1
[M+Na-2H]-	245.05839	157.2
[M]+	224.08317	152.4
[M]-	224.08427	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe