CID 3194

Ebselen

Structural Information

Molecular Formula

C₁₃H₉NOSe

SMILES

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

InChI

InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

InChIKey

DYEFUKCXAQOFHX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 932
References: 13436
Patents: 274.98495 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]+	275.99223	153.1
[M+Na]+	297.97417	169.8
[M+NH4]+	293.01877	162.9
[M+K]+	313.94811	162.1
[M-H]-	273.97767	158.0
[M+Na-2H]-	295.95962	163.0
[M]+	274.98440	157.0
[M]-	274.98550	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe