CID 112563486

3-(3-fluoroazetidin-3-yl)pyridine

Structural Information

Molecular Formula
C8H9FN2
SMILES
C1C(CN1)(C2=CN=CC=C2)F
InChI
InChI=1S/C8H9FN2/c9-8(5-11-6-8)7-2-1-3-10-4-7/h1-4,11H,5-6H2
InChIKey
NQUBHXHZROPXRR-UHFFFAOYSA-N
Compound name
3-(3-fluoroazetidin-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.07498 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08226 129.3
[M+Na]+ 175.06420 136.5
[M-H]- 151.06770 130.6
[M+NH4]+ 170.10880 142.4
[M+K]+ 191.03814 136.3
[M+H-H2O]+ 135.07224 116.9
[M+HCOO]- 197.07318 147.5
[M+CH3COO]- 211.08883 175.2
[M+Na-2H]- 173.04965 137.6
[M]+ 152.07443 133.1
[M]- 152.07553 133.1
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.