CID 50989462

4-(3-iodophenoxy)pyridine

Structural Information

Molecular Formula
C11H8INO
SMILES
C1=CC(=CC(=C1)I)OC2=CC=NC=C2
InChI
InChI=1S/C11H8INO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-8H
InChIKey
PJKJELUHQCPKAP-UHFFFAOYSA-N
Compound name
4-(3-iodophenoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.96506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97234 145.9
[M+Na]+ 319.95428 147.3
[M-H]- 295.95778 143.9
[M+NH4]+ 314.99888 158.9
[M+K]+ 335.92822 150.0
[M+H-H2O]+ 279.96232 134.4
[M+HCOO]- 341.96326 164.7
[M+CH3COO]- 355.97891 190.1
[M+Na-2H]- 317.93973 142.5
[M]+ 296.96451 143.5
[M]- 296.96561 143.5
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.