CID 137183

3-chloro-2,4,5,6-tetrafluoropyridine

Structural Information

Molecular Formula

SMILES

C1(=C(C(=NC(=C1Cl)F)F)F)F

InChI

InChI=1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9

InChIKey

UXUZMYHSICIOQT-UHFFFAOYSA-N

Compound name

3-chloro-2,4,5,6-tetrafluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 169
Patents: 184.96555 Da
Monoisotopic Mass: 2.5
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]+	185.97283	122.4
[M+Na]+	207.95477	136.2
[M-H]-	183.95827	120.7
[M+NH4]+	202.99937	142.6
[M+K]+	223.92871	131.5
[M+H-H2O]+	167.96281	114.4
[M+HCOO]-	229.96375	138.1
[M+CH3COO]-	243.97940	181.5
[M+Na-2H]-	205.94022	127.4
[M]+	184.96500	120.2
[M]-	184.96610	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe