CID 67075522

1201643-61-9

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CC(=NC=C1Br)C2=NC=CO2

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7(11-5-6)8-10-3-4-12-8/h1-5H

InChIKey

ZKECZMBIMGHSCH-UHFFFAOYSA-N

Compound name

2-(5-bromopyridin-2-yl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 223.95853 Da
Monoisotopic Mass: 1.7
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]+	224.96581	141.1
[M+Na]+	246.94775	146.2
[M+NH4]+	241.99235	146.1
[M+K]+	262.92169	147.3
[M-H]-	222.95125	143.6
[M+Na-2H]-	244.93320	146.4
[M]+	223.95798	141.4
[M]-	223.95908	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe