CID 135964624

Chembl1276633

Structural Information

Molecular Formula
C16H8BrClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=CC(=C(C=C43)Br)Cl)O
InChI
InChI=1S/C16H8BrClN2O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)14-15(21)7-3-1-2-4-11(7)19-14/h1-6,20,22H
InChIKey
DFQQRDAYRGKYOM-UHFFFAOYSA-N
Compound name
2-(5-bromo-6-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.94577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.95305 177.8
[M+Na]+ 396.93499 194.8
[M-H]- 372.93849 186.0
[M+NH4]+ 391.97959 197.1
[M+K]+ 412.90893 179.9
[M+H-H2O]+ 356.94303 178.3
[M+HCOO]- 418.94397 192.2
[M+CH3COO]- 432.95962 191.9
[M+Na-2H]- 394.92044 181.0
[M]+ 373.94522 200.5
[M]- 373.94632 200.5
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

No patent data available for this compound.