CID 13152198

8-(bromomethyl)-5-nitroquinoline

Structural Information

Molecular Formula

C₁₀H₇BrN₂O₂

SMILES

C1=CC2=C(C=CC(=C2N=C1)CBr)[N+](=O)[O-]

InChI

InChI=1S/C10H7BrN2O2/c11-6-7-3-4-9(13(14)15)8-2-1-5-12-10(7)8/h1-5H,6H2

InChIKey

LAKZXAOBUMEYGY-UHFFFAOYSA-N

Compound name

8-(bromomethyl)-5-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.9691 Da
Monoisotopic Mass: 2.6
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]+	266.97638	148.6
[M+Na]+	288.95832	154.1
[M+NH4]+	284.00292	153.9
[M+K]+	304.93226	155.2
[M-H]-	264.96182	150.8
[M+Na-2H]-	286.94377	152.7
[M]+	265.96855	148.8
[M]-	265.96965	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.