CID 16074123

[2,2'-binaphthalene]-1,1',4,4'-tetrone, 3'-chloro-3-methoxy-7-methoxy-

Structural Information

Molecular Formula
C22H13ClO6
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl)OC
InChI
InChI=1S/C22H13ClO6/c1-28-10-7-8-13-14(9-10)19(25)16(22(29-2)21(13)27)15-17(23)20(26)12-6-4-3-5-11(12)18(15)24/h3-9H,1-2H3
InChIKey
OVZJROFJHMXASC-UHFFFAOYSA-N
Compound name
3-(3-chloro-1,4-dioxonaphthalen-2-yl)-2,6-dimethoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.04007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04735 189.1
[M+Na]+ 431.02929 201.6
[M-H]- 407.03279 198.7
[M+NH4]+ 426.07389 203.2
[M+K]+ 447.00323 196.3
[M+H-H2O]+ 391.03733 181.0
[M+HCOO]- 453.03827 204.1
[M+CH3COO]- 467.05392 226.9
[M+Na-2H]- 429.01474 190.9
[M]+ 408.03952 197.1
[M]- 408.04062 197.1
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.