CID 15546854

6-bromo-1-methyl-1h-indole

Structural Information

Molecular Formula

SMILES

CN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C9H8BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3

InChIKey

PXHJDPPKNUGKPM-UHFFFAOYSA-N

Compound name

6-bromo-1-methylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 328
Patents: 208.98401 Da
Monoisotopic Mass: 3.4
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]+	209.99129	137.4
[M+Na]+	231.97323	142.8
[M+NH4]+	227.01783	143.7
[M+K]+	247.94717	142.8
[M-H]-	207.97673	138.7
[M+Na-2H]-	229.95868	141.9
[M]+	208.98346	137.5
[M]-	208.98456	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe