CID 235616

2,2'-dimethoxy-1,1'-binaphthyl

Structural Information

Molecular Formula
C22H18O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC
InChI
InChI=1S/C22H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKey
BJAADAKPADTRCH-UHFFFAOYSA-N
Compound name
2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

308
Patents

314.13068 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137956 174.3
[M+Na]+ 337.119898 184.5
[M-H]- 313.123404 183.4
[M+NH4]+ 332.164503 190.9
[M+K]+ 353.093838 178.6
[M+H-H2O]+ 297.127940 164.9
[M+HCOO]- 359.128881 196.9
[M+CH3COO]- 373.144531 186.6
[M+Na-2H]- 335.105346 181.9
[M]+ 314.13013142 178.9
[M]- 314.13122858 178.9
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

patents stripe