CID 53404197

4-(benzyloxy)-2-chloropyridine

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

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

InChI

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

InChIKey

XZLZQERVHJHMAL-UHFFFAOYSA-N

Compound name

2-chloro-4-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
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]+	220.052366	144.2
[M+Na]+	242.034308	153.4
[M-H]-	218.037814	149.4
[M+NH4]+	237.078913	162.0
[M+K]+	258.008248	148.5
[M+H-H2O]+	202.042350	136.8
[M+HCOO]-	264.043291	163.5
[M+CH3COO]-	278.058941	157.4
[M+Na-2H]-	240.019756	152.2
[M]+	219.04454142	146.9
[M]-	219.04563858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe