CID 59141000

1016316-14-5

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC1=C(C2=C(C=C1)NC(=O)C=C2)Br

InChI

InChI=1S/C10H8BrNO/c1-6-2-4-8-7(10(6)11)3-5-9(13)12-8/h2-5H,1H3,(H,12,13)

InChIKey

NBROUSPITUKLCY-UHFFFAOYSA-N

Compound name

5-bromo-6-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 236.97893 Da
Monoisotopic Mass: 2.4
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]+	237.986206	140.0
[M+Na]+	259.968148	153.8
[M-H]-	235.971654	145.4
[M+NH4]+	255.012753	161.1
[M+K]+	275.942088	141.4
[M+H-H2O]+	219.976190	140.3
[M+HCOO]-	281.977131	159.4
[M+CH3COO]-	295.992781	155.4
[M+Na-2H]-	257.953596	149.2
[M]+	236.97838142	158.3
[M]-	236.97947858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe