CID 45599561

3-bromo-6,7-dimethyl-4-hydroxyquinoline

Structural Information

Molecular Formula

C₁₁H₁₀BrNO

SMILES

CC1=CC2=C(C=C1C)NC=C(C2=O)Br

InChI

InChI=1S/C11H10BrNO/c1-6-3-8-10(4-7(6)2)13-5-9(12)11(8)14/h3-5H,1-2H3,(H,13,14)

InChIKey

JYCOENAJWAVNKI-UHFFFAOYSA-N

Compound name

3-bromo-6,7-dimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.99458 Da
Monoisotopic Mass: 3.2
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]+	252.001856	144.3
[M+Na]+	273.983798	158.5
[M-H]-	249.987304	149.9
[M+NH4]+	269.028403	165.1
[M+K]+	289.957738	145.9
[M+H-H2O]+	233.991840	144.6
[M+HCOO]-	295.992781	163.3
[M+CH3COO]-	310.008431	190.7
[M+Na-2H]-	271.969246	152.3
[M]+	250.99403142	163.3
[M]-	250.99512858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.