CID 52903735

3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

CC1=NOC(=N1)C2=CC(=CN=C2)Br

InChI

InChI=1S/C8H6BrN3O/c1-5-11-8(13-12-5)6-2-7(9)4-10-3-6/h2-4H,1H3

InChIKey

HJKGVCYLZLWOGD-UHFFFAOYSA-N

Compound name

5-(5-bromopyridin-3-yl)-3-methyl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 238.96942 Da
Monoisotopic Mass: 1.8
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]+	239.97670	145.7
[M+Na]+	261.95864	150.9
[M+NH4]+	257.00324	150.0
[M+K]+	277.93258	152.4
[M-H]-	237.96214	147.5
[M+Na-2H]-	259.94409	150.2
[M]+	238.96887	145.8
[M]-	238.96997	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe