CID 78324000

178984-52-6

Structural Information

Molecular Formula

C₁₂H₁₂ClNO

SMILES

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

InChI

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

InChIKey

IYHGIXNQQYLSSP-UHFFFAOYSA-N

Compound name

4-chloro-7-propan-2-yloxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 221.06075 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]+	222.06803	145.1
[M+Na]+	244.04997	161.1
[M+NH4]+	239.09457	155.0
[M+K]+	260.02391	152.8
[M-H]-	220.05347	148.3
[M+Na-2H]-	242.03542	153.1
[M]+	221.06020	148.8
[M]-	221.06130	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe