CID 60731392

3-(4-iodophenoxymethyl)pyridine

Structural Information

Molecular Formula

C₁₂H₁₀INO

SMILES

C1=CC(=CN=C1)COC2=CC=C(C=C2)I

InChI

InChI=1S/C12H10INO/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9H2

InChIKey

HGAIPYBAKIPQNV-UHFFFAOYSA-N

Compound name

3-[(4-iodophenoxy)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 310.9807 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	311.98798	150.8
[M+Na]+	333.96992	151.7
[M-H]-	309.97342	148.6
[M+NH4]+	329.01452	163.3
[M+K]+	349.94386	154.2
[M+H-H2O]+	293.97796	139.1
[M+HCOO]-	355.97890	169.2
[M+CH3COO]-	369.99455	193.0
[M+Na-2H]-	331.95537	146.8
[M]+	310.98015	148.7
[M]-	310.98125	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe