CID 145874418

2375271-00-2

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
C1C(CN1)OC2=C(C=NC=C2)C(F)(F)F
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)7-5-13-2-1-8(7)15-6-3-14-4-6/h1-2,5-6,14H,3-4H2
InChIKey
CGBVIFYHHCWVFL-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yloxy)-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 151.8
[M+Na]+ 241.05592 156.7
[M+NH4]+ 236.10052 153.2
[M+K]+ 257.02986 153.5
[M-H]- 217.05942 146.2
[M+Na-2H]- 239.04137 153.8
[M]+ 218.06615 149.5
[M]- 218.06725 149.5
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.