CID 75902

Haloxydine

Structural Information

Molecular Formula

C₅HCl₂F₂NO

SMILES

C1(=C(NC(=C(C1=O)Cl)F)F)Cl

InChI

InChI=1S/C5HCl2F2NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

InChIKey

MJAWMRVEIWPJRW-UHFFFAOYSA-N

Compound name

3,5-dichloro-2,6-difluoro-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4535
Patents: 198.94032 Da
Monoisotopic Mass: 2.4
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]+	199.94760	125.5
[M+Na]+	221.92954	139.2
[M-H]-	197.93304	124.4
[M+NH4]+	216.97414	144.9
[M+K]+	237.90348	133.0
[M+H-H2O]+	181.93758	120.4
[M+HCOO]-	243.93852	137.1
[M+CH3COO]-	257.95417	179.3
[M+Na-2H]-	219.91499	130.4
[M]+	198.93977	125.5
[M]-	198.94087	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe