CID 16794320

[2-(4-fluorophenoxy)pyridin-4-yl]methanamine

Structural Information

Molecular Formula
C12H11FN2O
SMILES
C1=CC(=CC=C1OC2=NC=CC(=C2)CN)F
InChI
InChI=1S/C12H11FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H,8,14H2
InChIKey
FFFAEFIVCXMBKE-UHFFFAOYSA-N
Compound name
[2-(4-fluorophenoxy)-4-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

218.08554 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.092816 145.5
[M+Na]+ 241.074758 154.1
[M-H]- 217.078264 149.5
[M+NH4]+ 236.119363 162.1
[M+K]+ 257.048698 150.0
[M+H-H2O]+ 201.082800 136.5
[M+HCOO]- 263.083741 168.9
[M+CH3COO]- 277.099391 189.8
[M+Na-2H]- 239.060206 152.1
[M]+ 218.08499142 143.8
[M]- 218.08608858 143.8
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

patents stripe