CID 368648

81743-90-0

Structural Information

Molecular Formula

C₁₃H₈ClNOSe

SMILES

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

InChI

InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H

InChIKey

KIFWXWMOJVGFLN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
Patents: 308.94595 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]+	309.95323	162.1
[M+Na]+	331.93517	174.5
[M-H]-	307.93867	168.9
[M+NH4]+	326.97977	181.7
[M+K]+	347.90911	167.5
[M+H-H2O]+	291.94321	154.5
[M+HCOO]-	353.94415	182.2
[M+CH3COO]-	367.95980	175.6
[M+Na-2H]-	329.92062	167.3
[M]+	308.94540	166.7
[M]-	308.94650	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe