CID 12721439

80322-74-3

Structural Information

Molecular Formula

SMILES

C1=CC(=C(N=C1)CCl)O

InChI

InChI=1S/C6H6ClNO/c7-4-5-6(9)2-1-3-8-5/h1-3,9H,4H2

InChIKey

UMQUDSSPLPWFMX-UHFFFAOYSA-N

Compound name

2-(chloromethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 143.0138 Da
Monoisotopic Mass: 0.9
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]+	144.02108	123.5
[M+Na]+	166.00302	138.1
[M+NH4]+	161.04762	132.8
[M+K]+	181.97696	131.1
[M-H]-	142.00652	125.3
[M+Na-2H]-	163.98847	131.6
[M]+	143.01325	126.4
[M]-	143.01435	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe