CID 12761396

82420-42-6

Structural Information

Molecular Formula

C₉H₉BrN₂O₂

SMILES

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

InChI

InChI=1S/C9H9BrN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2

InChIKey

AAKHAIQDMUELMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 255.98474 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]+	256.99202	146.5
[M+Na]+	278.97396	149.2
[M+NH4]+	274.01856	150.8
[M+K]+	294.94790	149.9
[M-H]-	254.97746	146.7
[M+Na-2H]-	276.95941	148.0
[M]+	255.98419	145.6
[M]-	255.98529	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe