CID 316989

4-bromomethyl-2-chloroquinoline

Structural Information

Molecular Formula

C₁₀H₇BrClN

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)Cl)CBr

InChI

InChI=1S/C10H7BrClN/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H,6H2

InChIKey

RHANOADKGPRUKT-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-2-chloroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 254.94504 Da
Monoisotopic Mass: 3.7
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]+	255.95232	143.1
[M+Na]+	277.93426	150.2
[M+NH4]+	272.97886	149.9
[M+K]+	293.90820	147.5
[M-H]-	253.93776	145.2
[M+Na-2H]-	275.91971	148.8
[M]+	254.94449	144.1
[M]-	254.94559	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe