CID 3067568

1,2-benzisoselenazol-3(2h)-one, 2-(4-methoxyphenyl)-

Structural Information

Molecular Formula

C₁₄H₁₁NO₂Se

SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChI

InChI=1S/C14H11NO2Se/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3

InChIKey

UFNLROFKXBUCTG-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 304.9955 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]+	306.00278	160.9
[M+Na]+	327.98472	177.3
[M+NH4]+	323.02932	170.0
[M+K]+	343.95866	170.1
[M-H]-	303.98822	165.4
[M+Na-2H]-	325.97017	169.9
[M]+	304.99495	164.7
[M]-	304.99605	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe