CID 135411068

[2,2'-binaphthalene]-1,1',4,4'-tetrone, 3-iodo-3'-hydroxy-

Structural Information

Molecular Formula
C20H9IO5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)I)O
InChI
InChI=1S/C20H9IO5/c21-15-13(16(22)9-5-1-3-7-11(9)18(15)24)14-17(23)10-6-2-4-8-12(10)19(25)20(14)26/h1-8,23H
InChIKey
ZOURDYMWDANHHE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-iodo-1,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.94946 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.95674 178.5
[M+Na]+ 478.93868 182.3
[M-H]- 454.94218 179.0
[M+NH4]+ 473.98328 188.2
[M+K]+ 494.91262 182.8
[M+H-H2O]+ 438.94672 166.5
[M+HCOO]- 500.94766 191.8
[M+CH3COO]- 514.96331 221.1
[M+Na-2H]- 476.92413 170.5
[M]+ 455.94891 176.9
[M]- 455.95001 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.