CID 4415272

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

Structural Information

Molecular Formula

C₈H₅FN₂Se

SMILES

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

InChI

InChI=1S/C8H5FN2Se/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H

InChIKey

NIHZVPUCTFUCGV-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)selenadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.9602 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]+	228.96748	141.4
[M+Na]+	250.94942	150.7
[M-H]-	226.95292	144.0
[M+NH4]+	245.99402	160.5
[M+K]+	266.92336	147.2
[M+H-H2O]+	210.95746	132.0
[M+HCOO]-	272.95840	163.9
[M+CH3COO]-	286.97405	154.5
[M+Na-2H]-	248.93487	147.0
[M]+	227.95965	139.8
[M]-	227.96075	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe