CID 95980

1,1-dibenzyloxy-2-phenylethane

Structural Information

Molecular Formula
C22H22O2
SMILES
C1=CC=C(C=C1)CC(OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H22O2/c1-4-10-19(11-5-1)16-22(23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2
InChIKey
NUOSANPWVZHVHL-UHFFFAOYSA-N
Compound name
2,2-bis(phenylmethoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

318.162 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16928 177.9
[M+Na]+ 341.15122 181.7
[M-H]- 317.15472 186.1
[M+NH4]+ 336.19582 190.8
[M+K]+ 357.12516 176.9
[M+H-H2O]+ 301.15926 167.8
[M+HCOO]- 363.16020 200.0
[M+CH3COO]- 377.17585 206.8
[M+Na-2H]- 339.13667 182.6
[M]+ 318.16145 178.8
[M]- 318.16255 178.8
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