CID 514830

6-(4-fluorophenoxy)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C12H7FN2O
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)F
InChI
InChI=1S/C12H7FN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H
InChIKey
MKYJXKKMJYOEGC-UHFFFAOYSA-N
Compound name
6-(4-fluorophenoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

214.05424 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06152 143.7
[M+Na]+ 237.04346 154.9
[M-H]- 213.04696 146.7
[M+NH4]+ 232.08806 158.9
[M+K]+ 253.01740 149.8
[M+H-H2O]+ 197.05150 128.5
[M+HCOO]- 259.05244 162.8
[M+CH3COO]- 273.06809 198.4
[M+Na-2H]- 235.02891 150.1
[M]+ 214.05369 138.2
[M]- 214.05479 138.2
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