CID 89622

22190-40-5

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C11H12BrNO/c1-8(14)13-6-2-3-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3

InChIKey

BHQKJGRWIRTURN-UHFFFAOYSA-N

Compound name

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 253.01022 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]+	254.01750	145.4
[M+Na]+	275.99944	149.2
[M+NH4]+	271.04404	150.9
[M+K]+	291.97338	148.7
[M-H]-	252.00294	146.2
[M+Na-2H]-	273.98489	148.4
[M]+	253.00967	145.0
[M]-	253.01077	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe