CID 26338344

3,4-dichloro-5-fluoropyridine

Structural Information

Molecular Formula

C₅H₂Cl₂FN

SMILES

C1=C(C(=C(C=N1)Cl)Cl)F

InChI

InChI=1S/C5H2Cl2FN/c6-3-1-9-2-4(8)5(3)7/h1-2H

InChIKey

RRBXQAHIBCOBQD-UHFFFAOYSA-N

Compound name

3,4-dichloro-5-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.95483 Da
Monoisotopic Mass: 2.2
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]+	165.96211	121.9
[M+Na]+	187.94405	133.9
[M-H]-	163.94755	122.7
[M+NH4]+	182.98865	142.8
[M+K]+	203.91799	129.2
[M+H-H2O]+	147.95209	116.9
[M+HCOO]-	209.95303	135.6
[M+CH3COO]-	223.96868	175.7
[M+Na-2H]-	185.92950	129.2
[M]+	164.95428	123.2
[M]-	164.95538	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.