CID 3040487

52333-73-0

Structural Information

Molecular Formula

C₁₂H₆F₂N₂O

SMILES

C1=CC(=C(C(=C1)F)C2=NC3=C(O2)C=CC=N3)F

InChI

InChI=1S/C12H6F2N2O/c13-7-3-1-4-8(14)10(7)12-16-11-9(17-12)5-2-6-15-11/h1-6H

InChIKey

WSYUPTNOAZFFGN-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 232.04482 Da
Monoisotopic Mass: 2.9
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]+	233.05210	144.2
[M+Na]+	255.03404	157.4
[M-H]-	231.03754	148.7
[M+NH4]+	250.07864	161.4
[M+K]+	271.00798	153.2
[M+H-H2O]+	215.04208	134.6
[M+HCOO]-	277.04302	165.9
[M+CH3COO]-	291.05867	158.3
[M+Na-2H]-	253.01949	151.8
[M]+	232.04427	145.8
[M]-	232.04537	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe