CID 135742383

1351240-72-6

Structural Information

Molecular Formula
C16H8Br2N2O2
SMILES
C1=CC2=C(C=C1Br)NC(=C2C3=C4C=CC(=CC4=NC3=O)Br)O
InChI
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-15(21)13(9)14-10-4-2-8(18)6-12(10)20-16(14)22/h1-6,19,21H
InChIKey
FMIGDKYPJSFPDF-UHFFFAOYSA-N
Compound name
6-bromo-3-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

417.89526 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.90254 183.0
[M+Na]+ 440.88448 179.6
[M+NH4]+ 435.92908 184.4
[M+K]+ 456.85842 186.2
[M-H]- 416.88798 184.0
[M+Na-2H]- 438.86993 183.0
[M]+ 417.89471 181.7
[M]- 417.89581 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe