CID 6510082

81892-47-9

Structural Information

Molecular Formula

C₁₂H₁₃BrN₂O₂

SMILES

CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Br

InChI

InChI=1S/C12H13BrN2O2/c1-2-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-

InChIKey

NXXUQBZRZORLTJ-UVTDQMKNSA-N

Compound name

1-[(4Z)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 296.01605 Da
Monoisotopic Mass: 2.2
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]+	297.023326	157.1
[M+Na]+	319.005268	167.5
[M-H]-	295.008774	162.6
[M+NH4]+	314.049873	175.8
[M+K]+	334.979208	155.9
[M+H-H2O]+	279.013310	155.9
[M+HCOO]-	341.014251	174.7
[M+CH3COO]-	355.029901	200.7
[M+Na-2H]-	316.990716	163.0
[M]+	296.01550142	174.2
[M]-	296.01659858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe