CID 163489

85702-64-3

Structural Information

Molecular Formula
C16H6Br3ClN2O2
SMILES
C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4Br)Br)O)Cl)Br
InChI
InChI=1S/C16H6Br3ClN2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,22,24H
InChIKey
ORVMSMNICRWKHA-UHFFFAOYSA-N
Compound name
5,7-dibromo-2-(5-bromo-7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.7668 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.77408 171.3
[M+Na]+ 552.75602 182.0
[M-H]- 528.75952 178.1
[M+NH4]+ 547.80062 184.4
[M+K]+ 568.72996 167.2
[M+H-H2O]+ 512.76406 187.0
[M+HCOO]- 574.76500 177.4
[M+CH3COO]- 588.78065 181.5
[M+Na-2H]- 550.74147 173.1
[M]+ 529.76625 214.2
[M]- 529.76735 214.2
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

No patent data available for this compound.