CID 17039805

99465-04-0

Structural Information

Molecular Formula

C₁₀H₄BrClN₂

SMILES

C1=CC2=NC(=C(C=C2C=C1Br)C#N)Cl

InChI

InChI=1S/C10H4BrClN2/c11-8-1-2-9-6(4-8)3-7(5-13)10(12)14-9/h1-4H

InChIKey

FFAIUVQNAJQHTR-UHFFFAOYSA-N

Compound name

6-bromo-2-chloroquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.92465 Da
Monoisotopic Mass: 3.6
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]+	266.931926	143.7
[M+Na]+	288.913868	160.7
[M-H]-	264.917374	147.9
[M+NH4]+	283.958473	162.9
[M+K]+	304.887808	145.8
[M+H-H2O]+	248.921910	137.6
[M+HCOO]-	310.922851	159.0
[M+CH3COO]-	324.938501	157.6
[M+Na-2H]-	286.899316	152.2
[M]+	265.92410142	157.8
[M]-	265.92519858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe