CID 73012780

934687-48-6

Structural Information

Molecular Formula

C₉H₅ClN₂O₃

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CC(=O)N2)Cl

InChI

InChI=1S/C9H5ClN2O3/c10-7-4-9(13)11-8-2-1-5(12(14)15)3-6(7)8/h1-4H,(H,11,13)

InChIKey

BZWQSAMGSLTVJG-UHFFFAOYSA-N

Compound name

4-chloro-6-nitro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 223.99887 Da
Monoisotopic Mass: 1.5
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]+	225.00615	139.0
[M+Na]+	246.98809	155.2
[M+NH4]+	242.03269	147.6
[M+K]+	262.96203	150.8
[M-H]-	222.99159	142.1
[M+Na-2H]-	244.97354	146.0
[M]+	223.99832	142.4
[M]-	223.99942	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe