CID 88919700

1392286-50-8

Structural Information

Molecular Formula

C₁₃H₁₄BrNO₂

SMILES

CC1(CC(=O)NC2=C1C=CC(=C2)C(=O)CBr)C

InChI

InChI=1S/C13H14BrNO2/c1-13(2)6-12(17)15-10-5-8(11(16)7-14)3-4-9(10)13/h3-5H,6-7H2,1-2H3,(H,15,17)

InChIKey

VOZAKXYVWXBECN-UHFFFAOYSA-N

Compound name

7-(2-bromoacetyl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 295.02078 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]+	296.028056	156.8
[M+Na]+	318.009998	168.1
[M-H]-	294.013504	161.3
[M+NH4]+	313.054603	177.1
[M+K]+	333.983938	156.0
[M+H-H2O]+	278.018040	157.2
[M+HCOO]-	340.018981	171.8
[M+CH3COO]-	354.034631	197.3
[M+Na-2H]-	315.995446	162.5
[M]+	295.02023142	173.9
[M]-	295.02132858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe