CID 13614459

6-chlorooxazolo[4,5-b]pyridin-2(3h)-one

Structural Information

Molecular Formula

C₆H₃ClN₂O₂

SMILES

C1=C(C=NC2=C1OC(=O)N2)Cl

InChI

InChI=1S/C6H3ClN2O2/c7-3-1-4-5(8-2-3)9-6(10)11-4/h1-2H,(H,8,9,10)

InChIKey

ZWGWZXKNFDGBJP-UHFFFAOYSA-N

Compound name

6-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 169.98831 Da
Monoisotopic Mass: 1.0
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]+	170.995586	126.1
[M+Na]+	192.977528	139.7
[M-H]-	168.981034	128.4
[M+NH4]+	188.022133	146.1
[M+K]+	208.951468	136.1
[M+H-H2O]+	152.985570	120.6
[M+HCOO]-	214.986511	144.5
[M+CH3COO]-	229.002161	141.2
[M+Na-2H]-	190.962976	135.6
[M]+	169.98776142	130.4
[M]-	169.98885858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe