CID 11750289

[2,2'-binaphthalene]-1,1',4,4'-tetrone, 3,3'-dichloro-8-methoxy-

Structural Information

Molecular Formula
C21H10Cl2O5
SMILES
COC1=CC=CC2=C1C(=O)C(=C(C2=O)Cl)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C21H10Cl2O5/c1-28-12-8-4-7-11-13(12)21(27)15(17(23)20(11)26)14-16(22)19(25)10-6-3-2-5-9(10)18(14)24/h2-8H,1H3
InChIKey
PBPNZZWNMPZQOM-UHFFFAOYSA-N
Compound name
2-chloro-3-(3-chloro-1,4-dioxonaphthalen-2-yl)-5-methoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.99054 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.99782 187.8
[M+Na]+ 434.97976 201.4
[M-H]- 410.98326 196.8
[M+NH4]+ 430.02436 202.4
[M+K]+ 450.95370 194.7
[M+H-H2O]+ 394.98780 180.9
[M+HCOO]- 456.98874 198.1
[M+CH3COO]- 471.00439 225.6
[M+Na-2H]- 432.96521 189.2
[M]+ 411.98999 195.6
[M]- 411.99109 195.6
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.