CID 42638801

6-bromo-7-methoxyisoquinoline

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

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

InChI

InChI=1S/C10H8BrNO/c1-13-10-5-8-6-12-3-2-7(8)4-9(10)11/h2-6H,1H3

InChIKey

LDGVJQBLUIJOPD-UHFFFAOYSA-N

Compound name

6-bromo-7-methoxyisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 236.97893 Da
Monoisotopic Mass: 2.8
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]+	237.98621	140.1
[M+Na]+	259.96815	146.0
[M+NH4]+	255.01275	146.1
[M+K]+	275.94209	144.6
[M-H]-	235.97165	141.7
[M+Na-2H]-	257.95360	145.3
[M]+	236.97838	140.4
[M]-	236.97948	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe