CID 135742383

1147124-21-7

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

34
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 170.5
[M+Na]+ 440.88448 184.6
[M-H]- 416.88798 179.1
[M+NH4]+ 435.92908 187.8
[M+K]+ 456.85842 169.2
[M+H-H2O]+ 400.89252 179.1
[M+HCOO]- 462.89346 185.7
[M+CH3COO]- 476.90911 183.9
[M+Na-2H]- 438.86993 174.9
[M]+ 417.89471 207.0
[M]- 417.89581 207.0
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