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

1158
Patents

214.05424 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06152 141.0
[M+Na]+ 237.04346 153.1
[M-H]- 213.04696 146.4
[M+NH4]+ 232.08806 158.7
[M+K]+ 253.01740 149.5
[M+H-H2O]+ 197.05150 132.1
[M+HCOO]- 259.05244 163.7
[M+CH3COO]- 273.06809 155.3
[M+Na-2H]- 235.02891 149.9
[M]+ 214.05369 143.2
[M]- 214.05479 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe