CID 10335785

116204-39-8

Structural Information

Molecular Formula
C22H18O2
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@H]([C@@H](C3=CC=CC4=CC=CC=C43)O)O
InChI
InChI=1S/C22H18O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-24H/t21-,22-/m1/s1
InChIKey
MNRCSHSTIWDUPJ-FGZHOGPDSA-N
Compound name
(1R,2R)-1,2-dinaphthalen-1-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

314.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137956 172.9
[M+Na]+ 337.119898 179.6
[M-H]- 313.123404 178.6
[M+NH4]+ 332.164503 187.3
[M+K]+ 353.093838 173.1
[M+H-H2O]+ 297.127940 164.5
[M+HCOO]- 359.128881 190.5
[M+CH3COO]- 373.144531 183.0
[M+Na-2H]- 335.105346 179.1
[M]+ 314.13013142 172.0
[M]- 314.13122858 172.0
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