CID 368655

Ebselen oxide

Structural Information

Molecular Formula

C₁₃H₉NO₂Se

SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2=O

InChI

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

InChIKey

SBTLFLABILGUMK-UHFFFAOYSA-N

Compound name

1-oxo-2-phenyl-1lambda4,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 39
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	157.8
[M+Na]+	313.96908	172.6
[M+NH4]+	309.01368	166.6
[M+K]+	329.94302	166.0
[M-H]-	289.97258	161.7
[M+Na-2H]-	311.95453	165.2
[M]+	290.97931	161.0
[M]-	290.98041	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe