CID 16684581

5,7-dibromo-8-((dihydroxybismuthino)oxy)quinoline

Structural Information

Molecular Formula
C9H4BiBr2NO
SMILES
C1=CC2=C(C(=C(C=C2Br)Br)O[Bi])N=C1
InChI
InChI=1S/C9H5Br2NO.Bi/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h1-4,13H;/q;+1/p-1
InChIKey
WEJLNVCOFUTWSC-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.84637 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.85365 172.4
[M+Na]+ 531.83559 183.2
[M-H]- 507.83909 178.0
[M+NH4]+ 526.88019 189.5
[M+K]+ 547.80953 167.6
[M+H-H2O]+ 491.84363 179.0
[M+HCOO]- 553.84457 186.1
[M+CH3COO]- 567.86022 212.2
[M+Na-2H]- 529.82104 178.0
[M]+ 508.84582 208.0
[M]- 508.84692 208.0
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.