CID 3040487

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

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

6
Patents

232.04482 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.052096 144.2
[M+Na]+ 255.034038 157.4
[M-H]- 231.037544 148.7
[M+NH4]+ 250.078643 161.4
[M+K]+ 271.007978 153.2
[M+H-H2O]+ 215.042080 134.6
[M+HCOO]- 277.043021 165.9
[M+CH3COO]- 291.058671 158.3
[M+Na-2H]- 253.019486 151.8
[M]+ 232.04427142 145.8
[M]- 232.04536858 145.8
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