CID 214196

1,2,3-selenadiazole, 4-(4-chlorophenyl)-

Structural Information

Molecular Formula

C₈H₅ClN₂Se

SMILES

C1=CC(=CC=C1C2=C[Se]N=N2)Cl

InChI

InChI=1S/C8H5ClN2Se/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H

InChIKey

UHIYRSORHUCZKN-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)selenadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.93065 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]+	244.93793	145.9
[M+Na]+	266.91987	155.8
[M-H]-	242.92337	149.5
[M+NH4]+	261.96447	165.1
[M+K]+	282.89381	150.9
[M+H-H2O]+	226.92791	137.6
[M+HCOO]-	288.92885	164.6
[M+CH3COO]-	302.94450	159.0
[M+Na-2H]-	264.90532	151.4
[M]+	243.93010	147.2
[M]-	243.93120	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.