CID 590397

N-(phenylseleno)phthalimide

Structural Information

Molecular Formula

C₁₄H₉NO₂Se

SMILES

C1=CC=C(C=C1)[Se]N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H9NO2Se/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H

InChIKey

TYZFQSLJTWPSDS-UHFFFAOYSA-N

Compound name

2-phenylselanylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 298
Patents: 302.97986 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]+	303.98714	163.0
[M+Na]+	325.96908	172.2
[M-H]-	301.97258	169.3
[M+NH4]+	321.01368	181.5
[M+K]+	341.94302	167.2
[M+H-H2O]+	285.97712	154.8
[M+HCOO]-	347.97806	185.0
[M+CH3COO]-	361.99371	175.4
[M+Na-2H]-	323.95453	166.5
[M]+	302.97931	163.6
[M]-	302.98041	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe