CID 3563674

2-(3-pyridyl)benzoselenazole

Structural Information

Molecular Formula

C₁₂H₈N₂Se

SMILES

C1=CC=C2C(=C1)N=C([Se]2)C3=CN=CC=C3

InChI

InChI=1S/C12H8N2Se/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H

InChIKey

HYKUGBHJUOOCKO-UHFFFAOYSA-N

Compound name

2-pyridin-3-yl-1,3-benzoselenazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 259.98526 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]+	260.99254	151.4
[M+Na]+	282.97448	161.4
[M-H]-	258.97798	156.4
[M+NH4]+	278.01908	170.2
[M+K]+	298.94842	156.2
[M+H-H2O]+	242.98252	142.4
[M+HCOO]-	304.98346	174.9
[M+CH3COO]-	318.99911	164.5
[M+Na-2H]-	280.95993	159.3
[M]+	259.98471	152.5
[M]-	259.98581	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe