CID 8027205

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

Structural Information

Molecular Formula

C₈H₆ClN₃O

SMILES

CC1=NOC(=N1)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C8H6ClN3O/c1-5-11-8(13-12-5)6-3-2-4-10-7(6)9/h2-4H,1H3

InChIKey

JFFDPZCKEBEAHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 195.01994 Da
Monoisotopic Mass: 2.1
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]+	196.02722	136.8
[M+Na]+	218.00916	152.8
[M+NH4]+	213.05376	145.2
[M+K]+	233.98310	147.9
[M-H]-	194.01266	140.5
[M+Na-2H]-	215.99461	145.4
[M]+	195.01939	140.5
[M]-	195.02049	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe