CID 130054786

5-chloro-2,4-difluoropyridine

Structural Information

Molecular Formula

C₅H₂ClF₂N

SMILES

C1=C(C(=CN=C1F)Cl)F

InChI

InChI=1S/C5H2ClF2N/c6-3-2-9-5(8)1-4(3)7/h1-2H

InChIKey

BKEHDGPFLXDGDC-UHFFFAOYSA-N

Compound name

5-chloro-2,4-difluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.98439 Da
Monoisotopic Mass: 2.0
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]+	149.99167	118.5
[M+Na]+	171.97361	130.4
[M-H]-	147.97711	118.9
[M+NH4]+	167.01821	139.8
[M+K]+	187.94755	126.7
[M+H-H2O]+	131.98165	112.0
[M+HCOO]-	193.98259	136.4
[M+CH3COO]-	207.99824	173.6
[M+Na-2H]-	169.95906	126.2
[M]+	148.98384	117.9
[M]-	148.98494	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.