CID 13051067

62618-72-8

Structural Information

Molecular Formula

C₁₂H₁₂BrNO₂

SMILES

CC(C(=O)C1=CC2=C(C=C1)NC(=O)CC2)Br

InChI

InChI=1S/C12H12BrNO2/c1-7(13)12(16)9-2-4-10-8(6-9)3-5-11(15)14-10/h2,4,6-7H,3,5H2,1H3,(H,14,15)

InChIKey

LJJPTQNZBAIGAX-UHFFFAOYSA-N

Compound name

6-(2-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 281.00513 Da
Monoisotopic Mass: 1.9
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]+	282.012406	154.7
[M+Na]+	303.994348	164.3
[M-H]-	279.997854	158.7
[M+NH4]+	299.038953	173.2
[M+K]+	319.968288	152.6
[M+H-H2O]+	264.002390	154.4
[M+HCOO]-	326.003331	169.0
[M+CH3COO]-	340.018981	194.7
[M+Na-2H]-	301.979796	159.2
[M]+	281.00458142	170.0
[M]-	281.00567858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe