CID 20515639

5-bromo-3-methyl-8-nitroisoquinoline

Structural Information

Molecular Formula

C₁₀H₇BrN₂O₂

SMILES

CC1=CC2=C(C=CC(=C2C=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C10H7BrN2O2/c1-6-4-7-8(5-12-6)10(13(14)15)3-2-9(7)11/h2-5H,1H3

InChIKey

HQGGZFKISGZGFK-UHFFFAOYSA-N

Compound name

5-bromo-3-methyl-8-nitroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 265.9691 Da
Monoisotopic Mass: 3.0
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]+	266.97638	148.3
[M+Na]+	288.95832	154.2
[M+NH4]+	284.00292	153.7
[M+K]+	304.93226	155.5
[M-H]-	264.96182	150.7
[M+Na-2H]-	286.94377	152.3
[M]+	265.96855	148.7
[M]-	265.96965	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe