CID 3040488

52333-94-5

Structural Information

Molecular Formula

C₁₂H₇FN₂O

SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)N=CC=C3)F

InChI

InChI=1S/C12H7FN2O/c13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11/h1-7H

InChIKey

BYWCPISMBVLTKQ-UHFFFAOYSA-N

Compound name

2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 214.05424 Da
Monoisotopic Mass: 2.8
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]+	215.06152	142.9
[M+Na]+	237.04346	159.3
[M+NH4]+	232.08806	151.7
[M+K]+	253.01740	153.4
[M-H]-	213.04696	147.1
[M+Na-2H]-	235.02891	152.3
[M]+	214.05369	146.6
[M]-	214.05479	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe