CID 175589

94133-62-7

Structural Information

Molecular Formula

C₅H₃Cl₂FN₂O

SMILES

C1(=C(C(=O)NC(=C1Cl)F)Cl)N

InChI

InChI=1S/C5H3Cl2FN2O/c6-1-3(9)2(7)5(11)10-4(1)8/h(H3,9,10,11)

InChIKey

JPMASQTVFRLSAV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 41
Patents: 195.96065 Da
Monoisotopic Mass: 0.7
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]+	196.96793	130.5
[M+Na]+	218.94987	143.3
[M-H]-	194.95337	130.2
[M+NH4]+	213.99447	149.4
[M+K]+	234.92381	137.1
[M+H-H2O]+	178.95791	126.0
[M+HCOO]-	240.95885	143.5
[M+CH3COO]-	254.97450	180.7
[M+Na-2H]-	216.93532	134.9
[M]+	195.96010	129.8
[M]-	195.96120	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe