CID 17750383

(3,5-dichloropyridin-2-yl)methanol

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

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

InChI

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

InChIKey

UJLNNNMWIMJFIW-UHFFFAOYSA-N

Compound name

(3,5-dichloropyridin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 176.97482 Da
Monoisotopic Mass: 1.3
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]+	177.98210	129.2
[M+Na]+	199.96404	144.6
[M+NH4]+	195.00864	138.5
[M+K]+	215.93798	137.1
[M-H]-	175.96754	130.8
[M+Na-2H]-	197.94949	137.0
[M]+	176.97427	132.5
[M]-	176.97537	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe