CID 160422

84-40-2

Structural Information

Molecular Formula

C₁₆H₈Br₂N₂O₂

SMILES

C1=CC2=C(C=C1Br)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)Br)O

InChI

InChI=1S/C16H8Br2N2O2/c17-7-1-3-11-9(5-7)15(21)13(19-11)14-16(22)10-6-8(18)2-4-12(10)20-14/h1-6,19,21H

InChIKey

LRBZENFZSJNJCR-UHFFFAOYSA-N

Compound name

5-bromo-2-(5-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 105
Patents: 417.89526 Da
Monoisotopic Mass: 4.1
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]+	418.90254	183.5
[M+Na]+	440.88448	179.6
[M+NH4]+	435.92908	184.9
[M+K]+	456.85842	186.4
[M-H]-	416.88798	184.3
[M+Na-2H]-	438.86993	183.0
[M]+	417.89471	182.1
[M]-	417.89581	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe