CID 45599620

3-bromo-4-chloro-6-methoxyquinoline

Structural Information

Molecular Formula

C₁₀H₇BrClNO

SMILES

COC1=CC2=C(C(=CN=C2C=C1)Br)Cl

InChI

InChI=1S/C10H7BrClNO/c1-14-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-5H,1H3

InChIKey

JPJOZOXSMAFCSD-UHFFFAOYSA-N

Compound name

3-bromo-4-chloro-6-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 270.93994 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]+	271.94722	146.1
[M+Na]+	293.92916	153.0
[M+NH4]+	288.97376	152.3
[M+K]+	309.90310	151.0
[M-H]-	269.93266	147.8
[M+Na-2H]-	291.91461	151.1
[M]+	270.93939	146.9
[M]-	270.94049	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe