CID 2735575

6-bromoquinoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

C1C(=O)C2=C(C=CC(=C2)Br)NC1=O

InChI

InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-3H,4H2,(H,11,13)

InChIKey

VWPAGBJORSHCDO-UHFFFAOYSA-N

Compound name

6-bromo-1H-quinoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.95819 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]+	239.96547	140.0
[M+Na]+	261.94741	152.4
[M-H]-	237.95091	144.8
[M+NH4]+	256.99201	160.6
[M+K]+	277.92135	140.5
[M+H-H2O]+	221.95545	140.3
[M+HCOO]-	283.95639	157.3
[M+CH3COO]-	297.97204	185.7
[M+Na-2H]-	259.93286	147.9
[M]+	238.95764	156.0
[M]-	238.95874	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe