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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.90254 171.6
[M+Na]+ 440.88448 185.0
[M-H]- 416.88798 179.9
[M+NH4]+ 435.92908 188.8
[M+K]+ 456.85842 169.6
[M+H-H2O]+ 400.89252 180.2
[M+HCOO]- 462.89346 185.8
[M+CH3COO]- 476.90911 184.6
[M+Na-2H]- 438.86993 175.3
[M]+ 417.89471 207.1
[M]- 417.89581 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe