CID 86670

18167-15-2

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C14H11NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9,13,16H

InChIKey

ZLODOCHSFJATAJ-UHFFFAOYSA-N

Compound name

3-hydroxy-2-phenyl-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 26
Patents: 225.07898 Da
Monoisotopic Mass: 2.0
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]+	226.086256	147.8
[M+Na]+	248.068198	157.4
[M-H]-	224.071704	153.5
[M+NH4]+	243.112803	167.0
[M+K]+	264.042138	152.5
[M+H-H2O]+	208.076240	140.8
[M+HCOO]-	270.077181	169.2
[M+CH3COO]-	284.092831	161.0
[M+Na-2H]-	246.053646	152.7
[M]+	225.07843142	147.1
[M]-	225.07952858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe