CID 13441298

6-fluoro-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula

C₁₁H₇FN₂

SMILES

C1=CC2=C(C=C1F)C3=C(N2)C=NC=C3

InChI

InChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H

InChIKey

AHWZJZOSPUCFPC-UHFFFAOYSA-N

Compound name

6-fluoro-9H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 186.05933 Da
Monoisotopic Mass: 3.3
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]+	187.06661	135.6
[M+Na]+	209.04855	150.7
[M+NH4]+	204.09315	145.0
[M+K]+	225.02249	144.5
[M-H]-	185.05205	136.9
[M+Na-2H]-	207.03400	143.0
[M]+	186.05878	138.1
[M]-	186.05988	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe