CID 108986

60644-91-9

Structural Information

Molecular Formula
C22H9Br4NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=C(C3=O)C=C5C(=C4)C(=C(C(=C5Br)Br)Br)Br)O
InChI
InChI=1S/C22H9Br4NO3/c23-16-9-6-11-12(7-10(9)17(24)19(26)18(16)25)22(30)15(21(11)29)20-14(28)5-8-3-1-2-4-13(8)27-20/h1-7,15,28H
InChIKey
XQJAONCBMFGBCC-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrabromo-2-(3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

650.73157 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.73885 171.9
[M+Na]+ 673.72079 167.1
[M+NH4]+ 668.76539 172.7
[M+K]+ 689.69473 173.0
[M-H]- 649.72429 173.9
[M+Na-2H]- 671.70624 172.5
[M]+ 650.73102 172.2
[M]- 650.73212 172.2
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.