CID 10651054

(r)-3,3'-bis([1,1'-biphenyl]-4-yl)-[1,1'-binaphthalene]-2,2'-diol

Structural Information

Molecular Formula
C44H30O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C(=C3O)C5=C(C(=CC6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC=C8)O
InChI
InChI=1S/C44H30O2/c45-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)46)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-28,45-46H
InChIKey
UDNBGUGDBXDKHD-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2246 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.23188 253.1
[M+Na]+ 613.21382 258.7
[M-H]- 589.21732 268.2
[M+NH4]+ 608.25842 253.7
[M+K]+ 629.18776 248.3
[M+H-H2O]+ 573.22186 235.7
[M+HCOO]- 635.22280 266.6
[M+CH3COO]- 649.23845 256.9
[M+Na-2H]- 611.19927 252.7
[M]+ 590.22405 249.6
[M]- 590.22515 249.6
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.