CID 151339

2580186-31-6

Structural Information

Molecular Formula

C₉H₉ClN₂O₂

SMILES

C1C(C(=O)N(C2=C1C=CC(=C2)Cl)O)N

InChI

InChI=1S/C9H9ClN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2

InChIKey

UAIVPPAGWHXQPR-UHFFFAOYSA-N

Compound name

3-amino-7-chloro-1-hydroxy-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 212.03525 Da
Monoisotopic Mass: 0.6
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]+	213.04253	140.3
[M+Na]+	235.02447	153.5
[M+NH4]+	230.06907	148.7
[M+K]+	250.99841	147.4
[M-H]-	211.02797	142.2
[M+Na-2H]-	233.00992	145.2
[M]+	212.03470	142.8
[M]-	212.03580	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe