CID 23158178

6-bromo-2-methylisoquinolin-1(2h)-one

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CN1C=CC2=C(C1=O)C=CC(=C2)Br

InChI

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

InChIKey

XWALISSRSGMCSU-UHFFFAOYSA-N

Compound name

6-bromo-2-methylisoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 236.97893 Da
Monoisotopic Mass: 2.2
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	138.8
[M+Na]+	259.96815	145.0
[M+NH4]+	255.01275	144.6
[M+K]+	275.94209	143.8
[M-H]-	235.97165	140.2
[M+Na-2H]-	257.95360	143.7
[M]+	236.97838	139.0
[M]-	236.97948	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe