CID 53393177

945543-24-8

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

C1=CN=C(C(=C1Cl)CO)Cl

InChI

InChI=1S/C6H5Cl2NO/c7-5-1-2-9-6(8)4(5)3-10/h1-2,10H,3H2

InChIKey

OUFKQGCYLJSBMZ-UHFFFAOYSA-N

Compound name

(2,4-dichloro-3-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 176.97482 Da
Monoisotopic Mass: 1.6
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]+	177.982096	128.2
[M+Na]+	199.964038	139.3
[M-H]-	175.967544	129.0
[M+NH4]+	195.008643	148.1
[M+K]+	215.937978	134.4
[M+H-H2O]+	159.972080	124.2
[M+HCOO]-	221.973021	141.4
[M+CH3COO]-	235.988671	175.3
[M+Na-2H]-	197.949486	135.0
[M]+	176.97427142	130.6
[M]-	176.97536858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe