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 143.2
[M+Na]+ 241.05592 150.2
[M-H]- 217.05942 141.8
[M+NH4]+ 236.10052 151.8
[M+K]+ 257.02986 149.7
[M+H-H2O]+ 201.06396 128.2
[M+HCOO]- 263.06490 157.4
[M+CH3COO]- 277.08055 186.6
[M+Na-2H]- 239.04137 148.5
[M]+ 218.06615 145.8
[M]- 218.06725 145.8
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.