CID 56842633

84560-06-5

Structural Information

Molecular Formula
C18H8Br3NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C(=C(C=C4)Br)Br)C(=C3O)Br
InChI
InChI=1S/C18H8Br3NO3/c19-9-5-6-10-11(13(9)20)14(21)18(25)15(22-10)12-16(23)7-3-1-2-4-8(7)17(12)24/h1-6,12,25H
InChIKey
ROPYBUNRWPMKDV-UHFFFAOYSA-N
Compound name
2-(4,5,6-tribromo-3-hydroxyquinolin-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.8054 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.81268 169.3
[M+Na]+ 545.79462 177.3
[M-H]- 521.79812 176.5
[M+NH4]+ 540.83922 181.5
[M+K]+ 561.76856 163.9
[M+H-H2O]+ 505.80266 184.3
[M+HCOO]- 567.80360 177.0
[M+CH3COO]- 581.81925 179.0
[M+Na-2H]- 543.78007 171.4
[M]+ 522.80485 210.7
[M]- 522.80595 210.7
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

No patent data available for this compound.