CID 16227351

923909-95-9

Structural Information

Molecular Formula
C14H9FN2O3
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C14H9FN2O3/c1-7-12-10(14(18)19)6-11(16-13(12)20-17-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,18,19)
InChIKey
OUAYNYPFFGUXKP-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06700 157.1
[M+Na]+ 295.04894 169.2
[M-H]- 271.05244 161.8
[M+NH4]+ 290.09354 171.9
[M+K]+ 311.02288 165.5
[M+H-H2O]+ 255.05698 148.4
[M+HCOO]- 317.05792 177.1
[M+CH3COO]- 331.07357 170.0
[M+Na-2H]- 293.03439 161.9
[M]+ 272.05917 160.5
[M]- 272.06027 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.