CID 135646666

1018047-90-9

Structural Information

Molecular Formula
C13H7F3N2O2
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C(=CC(=O)N3)C(F)(F)F
InChI
InChI=1S/C13H7F3N2O2/c14-13(15,16)8-6-9(19)17-12-10(8)11(18-20-12)7-4-2-1-3-5-7/h1-6H,(H,17,19)
InChIKey
CQGYWRSGVYZHTB-UHFFFAOYSA-N
Compound name
3-phenyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05324 160.4
[M+Na]+ 303.03518 172.4
[M+NH4]+ 298.07978 165.3
[M+K]+ 319.00912 168.7
[M-H]- 279.03868 159.3
[M+Na-2H]- 301.02063 165.6
[M]+ 280.04541 161.6
[M]- 280.04651 161.6
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.