CID 255292

16653-19-3

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C(C=C1)CON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)15(18)16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

IOZADUIJKWISQS-UHFFFAOYSA-N

Compound name

2-phenylmethoxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 74
Patents: 253.0739 Da
Monoisotopic Mass: 2.9
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]+	254.08118	155.6
[M+Na]+	276.06312	170.0
[M+NH4]+	271.10772	164.0
[M+K]+	292.03706	164.2
[M-H]-	252.06662	159.1
[M+Na-2H]-	274.04857	163.0
[M]+	253.07335	158.6
[M]-	253.07445	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe