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]+ 217.058316 140.1
[M+Na]+ 239.040258 153.5
[M-H]- 215.043764 140.2
[M+NH4]+ 234.084863 158.5
[M+K]+ 255.014198 151.0
[M+H-H2O]+ 199.048300 131.5
[M+HCOO]- 261.049241 158.6
[M+CH3COO]- 275.064891 187.2
[M+Na-2H]- 237.025706 147.3
[M]+ 216.05049142 141.2
[M]- 216.05158858 141.2
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.