CID 43531944

4-chloro-8-propoxyquinoline

Structural Information

Molecular Formula

C₁₂H₁₂ClNO

SMILES

CCCOC1=CC=CC2=C(C=CN=C21)Cl

InChI

InChI=1S/C12H12ClNO/c1-2-8-15-11-5-3-4-9-10(13)6-7-14-12(9)11/h3-7H,2,8H2,1H3

InChIKey

PPYMIVOMBONZGI-UHFFFAOYSA-N

Compound name

4-chloro-8-propoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.06075 Da
Monoisotopic Mass: 3.9
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]+	222.068026	145.3
[M+Na]+	244.049968	155.5
[M-H]-	220.053474	148.5
[M+NH4]+	239.094573	164.7
[M+K]+	260.023908	150.7
[M+H-H2O]+	204.058010	138.9
[M+HCOO]-	266.058951	163.0
[M+CH3COO]-	280.074601	188.5
[M+Na-2H]-	242.035416	153.3
[M]+	221.06020142	149.7
[M]-	221.06129858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.