CID 18427429

214617-42-2

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

C1=CC(=NC(=C1CCO)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO/c8-6-2-1-5(3-4-11)7(9)10-6/h1-2,11H,3-4H2

InChIKey

XVJCDDDOFJAABV-UHFFFAOYSA-N

Compound name

2-(2,6-dichloro-3-pyridinyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 190.99046 Da
Monoisotopic Mass: 2.4
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]+	191.997736	132.8
[M+Na]+	213.979678	143.6
[M-H]-	189.983184	133.5
[M+NH4]+	209.024283	152.2
[M+K]+	229.953618	138.3
[M+H-H2O]+	173.987720	128.6
[M+HCOO]-	235.988661	145.7
[M+CH3COO]-	250.004311	178.3
[M+Na-2H]-	211.965126	139.1
[M]+	190.98991142	135.6
[M]-	190.99100858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe