CID 114763969

4-bromo-8-(propan-2-yl)quinoline

Structural Information

Molecular Formula

C₁₂H₁₂BrN

SMILES

CC(C)C1=CC=CC2=C(C=CN=C21)Br

InChI

InChI=1S/C12H12BrN/c1-8(2)9-4-3-5-10-11(13)6-7-14-12(9)10/h3-8H,1-2H3

InChIKey

CHUMQPHKZWXBGH-UHFFFAOYSA-N

Compound name

4-bromo-8-propan-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.0153 Da
Monoisotopic Mass: 4.0
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]+	250.022576	147.4
[M+Na]+	272.004518	159.5
[M-H]-	248.008024	153.5
[M+NH4]+	267.049123	168.5
[M+K]+	287.978458	148.1
[M+H-H2O]+	232.012560	147.2
[M+HCOO]-	294.013501	166.3
[M+CH3COO]-	308.029151	193.3
[M+Na-2H]-	269.989966	155.5
[M]+	249.01475142	166.5
[M]-	249.01584858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.