CID 2324446

380419-66-9

Structural Information

Molecular Formula
C14H9F3N2O
SMILES
CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C14H9F3N2O/c1-8-12-10(14(15,16)17)7-11(18-13(12)20-19-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
UHTKOVALGZQKFJ-UHFFFAOYSA-N
Compound name
3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.0667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07398 158.2
[M+Na]+ 301.05592 170.9
[M-H]- 277.05942 161.4
[M+NH4]+ 296.10052 173.6
[M+K]+ 317.02986 166.4
[M+H-H2O]+ 261.06396 147.8
[M+HCOO]- 323.06490 176.4
[M+CH3COO]- 337.08055 170.8
[M+Na-2H]- 299.04137 164.8
[M]+ 278.06615 158.7
[M]- 278.06725 158.7
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

No patent data available for this compound.