CID 86657057

2-(benzyloxy)-6-chloro-4-iodopyridine

Structural Information

Molecular Formula

C₁₂H₉ClINO

SMILES

C1=CC=C(C=C1)COC2=NC(=CC(=C2)I)Cl

InChI

InChI=1S/C12H9ClINO/c13-11-6-10(14)7-12(15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2

InChIKey

QXXDLIAWSMMFNM-UHFFFAOYSA-N

Compound name

2-chloro-4-iodo-6-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 344.94174 Da
Monoisotopic Mass: 4.3
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]+	345.94902	154.2
[M+Na]+	367.93096	156.8
[M-H]-	343.93446	152.2
[M+NH4]+	362.97556	166.5
[M+K]+	383.90490	157.6
[M+H-H2O]+	327.93900	143.2
[M+HCOO]-	389.93994	168.3
[M+CH3COO]-	403.95559	197.5
[M+Na-2H]-	365.91641	149.4
[M]+	344.94119	154.6
[M]-	344.94229	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe