CID 13614458

6-bromo-3h-oxazolo[4,5-b]pyridin-2-one

Structural Information

Molecular Formula

C₆H₃BrN₂O₂

SMILES

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

InChI

InChI=1S/C6H3BrN2O2/c7-3-1-4-5(8-2-3)9-6(10)11-4/h1-2H,(H,8,9,10)

InChIKey

VQPBRWIFFBIRRP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 213.93779 Da
Monoisotopic Mass: 1.1
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]+	214.94507	130.5
[M+Na]+	236.92701	146.1
[M-H]-	212.93051	135.8
[M+NH4]+	231.97161	151.6
[M+K]+	252.90095	136.0
[M+H-H2O]+	196.93505	130.9
[M+HCOO]-	258.93599	151.5
[M+CH3COO]-	272.95164	147.2
[M+Na-2H]-	234.91246	141.4
[M]+	213.93724	151.6
[M]-	213.93834	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe