CID 118998729

2-chloro-4-(difluoromethyl)pyridin-3-ol

Structural Information

Molecular Formula

C₆H₄ClF₂NO

SMILES

C1=CN=C(C(=C1C(F)F)O)Cl

InChI

InChI=1S/C6H4ClF2NO/c7-5-4(11)3(6(8)9)1-2-10-5/h1-2,6,11H

InChIKey

PHIJSOKIUCGFOE-UHFFFAOYSA-N

Compound name

2-chloro-4-(difluoromethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.99495 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]+	180.002226	126.8
[M+Na]+	201.984168	137.5
[M-H]-	177.987674	125.7
[M+NH4]+	197.028773	146.1
[M+K]+	217.958108	133.5
[M+H-H2O]+	161.992210	120.4
[M+HCOO]-	223.993151	142.2
[M+CH3COO]-	238.008801	176.7
[M+Na-2H]-	199.969616	132.1
[M]+	178.99440142	125.5
[M]-	178.99549858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.