CID 108986

Einecs 262-347-6

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 172.6
[M+Na]+ 673.72079 177.6
[M-H]- 649.72429 177.7
[M+NH4]+ 668.76539 180.5
[M+K]+ 689.69473 168.0
[M+H-H2O]+ 633.72883 190.6
[M+HCOO]- 695.72977 176.3
[M+CH3COO]- 709.74542 178.6
[M+Na-2H]- 671.70624 173.0
[M]+ 650.73102 211.4
[M]- 650.73212 211.4
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.