CID 3067575

81743-98-8

Structural Information

Molecular Formula

C₁₄H₁₁NO₂Se

SMILES

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

InChI

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

InChIKey

KBYCKXXXKHZZIE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8
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	162.5
[M+Na]+	327.98472	173.5
[M-H]-	303.98822	169.6
[M+NH4]+	323.02932	181.3
[M+K]+	343.95866	168.7
[M+H-H2O]+	287.99276	154.2
[M+HCOO]-	349.99370	187.2
[M+CH3COO]-	364.00935	175.9
[M+Na-2H]-	325.97017	167.9
[M]+	304.99495	166.7
[M]-	304.99605	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe