CID 54328072

2-(benzyloxy)-4-chloropyridine

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

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

InChI

InChI=1S/C12H10ClNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2

InChIKey

YVYOMLRBHNXGEU-UHFFFAOYSA-N

Compound name

4-chloro-2-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 219.04509 Da
Monoisotopic Mass: 3.3
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]+	220.05237	144.2
[M+Na]+	242.03431	153.4
[M-H]-	218.03781	149.4
[M+NH4]+	237.07891	162.0
[M+K]+	258.00825	148.5
[M+H-H2O]+	202.04235	136.8
[M+HCOO]-	264.04329	163.5
[M+CH3COO]-	278.05894	157.4
[M+Na-2H]-	240.01976	152.2
[M]+	219.04454	146.9
[M]-	219.04564	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe