CID 177057

3h-indol-3-one, 6-bromo-2-(6-bromo-1,3-dihydro-3-oxo-2h-indol-2-ylidene)-1,2-dihydro-

Structural Information

Molecular Formula
C16H8Br2N2O2
SMILES
C1=CC2=C(C=C1Br)NC(=C2O)C3=NC4=C(C3=O)C=CC(=C4)Br
InChI
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19,21H
InChIKey
UOZOCOQLYQNHII-UHFFFAOYSA-N
Compound name
6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

862
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