CID 3067580

1,2-benzisoselenazol-3(2h)-one, 2-(2-hydroxyphenyl)-

Structural Information

Molecular Formula

C₁₃H₉NO₂Se

SMILES

C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=CC=C3O

InChI

InChI=1S/C13H9NO2Se/c15-11-7-3-2-6-10(11)14-13(16)9-5-1-4-8-12(9)17-14/h1-8,15H

InChIKey

RETMDRSAJYWULY-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 12
Patents: 290.97986 Da
Monoisotopic Mass: None
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]+	291.98714	156.9
[M+Na]+	313.96908	172.9
[M+NH4]+	309.01368	165.7
[M+K]+	329.94302	166.3
[M-H]-	289.97258	160.9
[M+Na-2H]-	311.95453	165.5
[M]+	290.97931	160.4
[M]-	290.98041	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe