CID 23156598

4,7-dichloro-6-methoxyquinoline

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO

SMILES

COC1=CC2=C(C=CN=C2C=C1Cl)Cl

InChI

InChI=1S/C10H7Cl2NO/c1-14-10-4-6-7(11)2-3-13-9(6)5-8(10)12/h2-5H,1H3

InChIKey

IIHXMOXNDKCDEO-UHFFFAOYSA-N

Compound name

4,7-dichloro-6-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.99046 Da
Monoisotopic Mass: 3.5
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]+	227.99774	141.7
[M+Na]+	249.97968	159.2
[M+NH4]+	245.02428	152.0
[M+K]+	265.95362	150.1
[M-H]-	225.98318	145.0
[M+Na-2H]-	247.96513	150.3
[M]+	226.98991	146.0
[M]-	226.99101	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe