CID 21936088

2-[(6-chloropyridin-2-yl)oxy]ethan-1-ol

Structural Information

Molecular Formula

C₇H₈ClNO₂

SMILES

C1=CC(=NC(=C1)Cl)OCCO

InChI

InChI=1S/C7H8ClNO2/c8-6-2-1-3-7(9-6)11-5-4-10/h1-3,10H,4-5H2

InChIKey

DHJOXXXGCKSNMB-UHFFFAOYSA-N

Compound name

2-[(6-chloro-2-pyridinyl)oxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 173.02435 Da
Monoisotopic Mass: 1.5
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]+	174.031626	130.7
[M+Na]+	196.013568	140.2
[M-H]-	172.017074	131.8
[M+NH4]+	191.058173	150.1
[M+K]+	211.987508	136.9
[M+H-H2O]+	156.021610	125.4
[M+HCOO]-	218.022551	149.0
[M+CH3COO]-	232.038201	174.3
[M+Na-2H]-	193.999016	138.5
[M]+	173.02380142	133.7
[M]-	173.02489858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe