CID 2766284

2-chloro-5-(1,3-oxazol-5-yl)pyridine

Structural Information

Molecular Formula

C₈H₅ClN₂O

SMILES

C1=CC(=NC=C1C2=CN=CO2)Cl

InChI

InChI=1S/C8H5ClN2O/c9-8-2-1-6(3-11-8)7-4-10-5-12-7/h1-5H

InChIKey

VLCZGHUOVFKECA-UHFFFAOYSA-N

Compound name

5-(6-chloro-3-pyridinyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 180.00903 Da
Monoisotopic Mass: 1.9
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]+	181.016306	132.4
[M+Na]+	202.998248	143.2
[M-H]-	179.001754	137.3
[M+NH4]+	198.042853	150.9
[M+K]+	218.972188	140.5
[M+H-H2O]+	163.006290	125.0
[M+HCOO]-	225.007231	151.3
[M+CH3COO]-	239.022881	146.8
[M+Na-2H]-	200.983696	140.3
[M]+	180.00848142	135.3
[M]-	180.00957858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe