CID 10752385

1-(4-bromo-1h-indol-3-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC(=O)C1=CNC2=C1C(=CC=C2)Br

InChI

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

InChIKey

KNZUUSYLBPQSIS-UHFFFAOYSA-N

Compound name

1-(4-bromo-1H-indol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 236.97893 Da
Monoisotopic Mass: 2.4
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]+	237.98621	143.6
[M+Na]+	259.96815	157.3
[M-H]-	235.97165	149.2
[M+NH4]+	255.01275	166.2
[M+K]+	275.94209	145.4
[M+H-H2O]+	219.97619	144.1
[M+HCOO]-	281.97713	164.2
[M+CH3COO]-	295.99278	186.1
[M+Na-2H]-	257.95360	150.6
[M]+	236.97838	163.0
[M]-	236.97948	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe