CID 70874023

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula

C₈H₄BrClN₂O

SMILES

C1=CC(=CC=C1C2=NN=C(O2)Br)Cl

InChI

InChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-1-3-6(10)4-2-5/h1-4H

InChIKey

ZQCJHLYJBGDXQH-UHFFFAOYSA-N

Compound name

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 257.91956 Da
Monoisotopic Mass: 3.1
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]+	258.92684	147.5
[M+Na]+	280.90878	153.6
[M+NH4]+	275.95338	152.7
[M+K]+	296.88272	154.1
[M-H]-	256.91228	150.0
[M+Na-2H]-	278.89423	152.5
[M]+	257.91901	148.3
[M]-	257.92011	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe