CID 43531975

4-chloro-6-(propan-2-yloxy)quinoline

Structural Information

Molecular Formula

C₁₂H₁₂ClNO

SMILES

CC(C)OC1=CC2=C(C=CN=C2C=C1)Cl

InChI

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

InChIKey

NZYSHMFIANGSCP-UHFFFAOYSA-N

Compound name

4-chloro-6-propan-2-yloxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.06075 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]+	222.068026	145.1
[M+Na]+	244.049968	155.0
[M-H]-	220.053474	148.4
[M+NH4]+	239.094573	164.5
[M+K]+	260.023908	150.7
[M+H-H2O]+	204.058010	139.0
[M+HCOO]-	266.058951	161.9
[M+CH3COO]-	280.074601	189.3
[M+Na-2H]-	242.035416	152.0
[M]+	221.06020142	149.0
[M]-	221.06129858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.