CID 24208926

3,6-dimethyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C9H7F3N2O
SMILES
CC1=CC(=C2C(=NOC2=N1)C)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O/c1-4-3-6(9(10,11)12)7-5(2)14-15-8(7)13-4/h3H,1-2H3
InChIKey
MKECJHYDHYAUTK-UHFFFAOYSA-N
Compound name
3,6-dimethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05832 146.7
[M+Na]+ 239.04026 157.8
[M+NH4]+ 234.08486 152.3
[M+K]+ 255.01420 154.5
[M-H]- 215.04376 144.3
[M+Na-2H]- 237.02571 150.2
[M]+ 216.05049 147.4
[M]- 216.05159 147.4
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.