CID 3012950

Schembl5916609

Structural Information

Molecular Formula

C₁₂H₇ClN₂OSe

SMILES

C1=CC=C2C(=C1)C(=O)N([Se]2)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C12H7ClN2OSe/c13-8-5-6-14-11(7-8)15-12(16)9-3-1-2-4-10(9)17-15/h1-7H

InChIKey

LGMWGRQOIDWURW-UHFFFAOYSA-N

Compound name

2-(4-chloropyridin-2-yl)-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 309.94122 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]+	310.94850	161.8
[M+Na]+	332.93044	174.6
[M-H]-	308.93394	167.3
[M+NH4]+	327.97504	179.9
[M+K]+	348.90438	167.7
[M+H-H2O]+	292.93848	153.3
[M+HCOO]-	354.93942	180.8
[M+CH3COO]-	368.95507	174.9
[M+Na-2H]-	330.91589	167.5
[M]+	309.94067	166.4
[M]-	309.94177	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe