CID 2348961

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

Structural Information

Molecular Formula
C9H4F6N2O
SMILES
CC1=NOC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H4F6N2O/c1-3-6-4(8(10,11)12)2-5(9(13,14)15)16-7(6)18-17-3/h2H,1H3
InChIKey
WZLDAQBXEIOGCO-UHFFFAOYSA-N
Compound name
3-methyl-4,6-bis(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.0228 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03008 165.8
[M+Na]+ 293.01202 171.9
[M+NH4]+ 288.05662 167.8
[M+K]+ 308.98596 169.5
[M-H]- 269.01552 159.5
[M+Na-2H]- 290.99747 166.0
[M]+ 270.02225 164.6
[M]- 270.02335 164.6
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.