CID 43135334

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

Structural Information

Molecular Formula

C₇H₄ClN₃O

SMILES

C1=CC(=NC=C1C2=NOC=N2)Cl

InChI

InChI=1S/C7H4ClN3O/c8-6-2-1-5(3-9-6)7-10-4-12-11-7/h1-4H

InChIKey

VMQVXTINJOFLTD-UHFFFAOYSA-N

Compound name

3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.00429 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]+	182.011566	132.0
[M+Na]+	203.993508	143.2
[M-H]-	179.997014	135.5
[M+NH4]+	199.038113	149.0
[M+K]+	219.967448	140.5
[M+H-H2O]+	164.001550	123.7
[M+HCOO]-	226.002491	149.8
[M+CH3COO]-	240.018141	146.0
[M+Na-2H]-	201.978956	140.3
[M]+	181.00374142	134.9
[M]-	181.00483858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe