CID 4304666

5,7-dibromo-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula

C₉H₅Br₂NO

SMILES

C1=C(C=C(C2=C1C(=CN2)C=O)Br)Br

InChI

InChI=1S/C9H5Br2NO/c10-6-1-7-5(4-13)3-12-9(7)8(11)2-6/h1-4,12H

InChIKey

JNRVKWFIKFDURF-UHFFFAOYSA-N

Compound name

5,7-dibromo-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 300.87378 Da
Monoisotopic Mass: 2.9
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]+	301.88106	153.5
[M+Na]+	323.86300	149.2
[M+NH4]+	318.90760	155.5
[M+K]+	339.83694	155.8
[M-H]-	299.86650	153.8
[M+Na-2H]-	321.84845	154.4
[M]+	300.87323	151.8
[M]-	300.87433	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe