CID 266605

92967-81-2

Structural Information

Molecular Formula

C₁₆H₉BrN₂O

SMILES

C1=CC=C2C(=C1)C(=CN2)C3=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C16H9BrN2O/c17-9-5-6-14-11(7-9)16(20)15(19-14)12-8-18-13-4-2-1-3-10(12)13/h1-8,18H

InChIKey

STDZECLKFANVPN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 323.98984 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]+	324.99712	168.4
[M+Na]+	346.97906	183.6
[M-H]-	322.98256	177.4
[M+NH4]+	342.02366	189.0
[M+K]+	362.95300	170.4
[M+H-H2O]+	306.98710	168.2
[M+HCOO]-	368.98804	188.7
[M+CH3COO]-	383.00369	183.1
[M+Na-2H]-	344.96451	173.6
[M]+	323.98929	188.8
[M]-	323.99039	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe