CID 23438643

380380-59-6

Structural Information

Molecular Formula

C₈H₆BrN₃O

SMILES

CC1=NN=C(O1)C2=NC=C(C=C2)Br

InChI

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

InChIKey

HYRVBOIHTWDVTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 238.96942 Da
Monoisotopic Mass: 1.2
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