CID 17750606

3,6-dibromo-4-chloroquinoline

Structural Information

Molecular Formula

C₉H₄Br₂ClN

SMILES

C1=CC2=NC=C(C(=C2C=C1Br)Cl)Br

InChI

InChI=1S/C9H4Br2ClN/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H

InChIKey

PHAZSUJOBODVGL-UHFFFAOYSA-N

Compound name

3,6-dibromo-4-chloroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.8399 Da
Monoisotopic Mass: 4.2
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]+	319.847176	139.5
[M+Na]+	341.829118	153.3
[M-H]-	317.832624	146.5
[M+NH4]+	336.873723	159.1
[M+K]+	357.803058	136.7
[M+H-H2O]+	301.837160	148.7
[M+HCOO]-	363.838101	151.5
[M+CH3COO]-	377.853751	154.4
[M+Na-2H]-	339.814566	148.8
[M]+	318.83935142	175.4
[M]-	318.84044858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.