CID 13135170

90181-94-5

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₂

SMILES

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

InChI

InChI=1S/C11H11BrN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10+

InChIKey

YSEKTWYSDQTJBX-JLHYYAGUSA-N

Compound name

1-[(4E)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 282.0004 Da
Monoisotopic Mass: 1.7
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]+	283.007676	152.5
[M+Na]+	304.989618	163.3
[M-H]-	280.993124	158.2
[M+NH4]+	300.034223	171.7
[M+K]+	320.963558	152.0
[M+H-H2O]+	264.997660	151.5
[M+HCOO]-	326.998601	170.5
[M+CH3COO]-	341.014251	197.9
[M+Na-2H]-	302.975066	158.9
[M]+	281.99985142	169.3
[M]-	282.00094858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe