CID 46941480

4,6-dichloropyridin-3-ol

Structural Information

Molecular Formula

C₅H₃Cl₂NO

SMILES

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

InChI

InChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-2-4(3)9/h1-2,9H

InChIKey

GJPWOBLZTKMZFN-UHFFFAOYSA-N

Compound name

4,6-dichloropyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.95917 Da
Monoisotopic Mass: 2.1
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]+	163.96645	123.5
[M+Na]+	185.94839	135.1
[M-H]-	161.95189	124.5
[M+NH4]+	180.99299	144.0
[M+K]+	201.92233	130.4
[M+H-H2O]+	145.95643	119.8
[M+HCOO]-	207.95737	137.1
[M+CH3COO]-	221.97302	172.4
[M+Na-2H]-	183.93384	130.9
[M]+	162.95862	125.5
[M]-	162.95972	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe