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 149.5
[M+Na]+ 293.01202 163.5
[M-H]- 269.01552 146.1
[M+NH4]+ 288.05662 165.6
[M+K]+ 308.98596 160.1
[M+H-H2O]+ 253.02006 138.8
[M+HCOO]- 315.02100 163.1
[M+CH3COO]- 329.03665 195.7
[M+Na-2H]- 290.99747 155.8
[M]+ 270.02225 146.3
[M]- 270.02335 146.3
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.