CID 110267

Benzyl p-cumylphenyl ether

Structural Information

Molecular Formula
C22H22O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H22O/c1-22(2,19-11-7-4-8-12-19)20-13-15-21(16-14-20)23-17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3
InChIKey
IZLBYQPKAHATAF-UHFFFAOYSA-N
Compound name
1-phenylmethoxy-4-(2-phenylpropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

302.16705 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17433 175.7
[M+Na]+ 325.15627 192.6
[M+NH4]+ 320.20087 185.5
[M+K]+ 341.13021 182.3
[M-H]- 301.15977 183.4
[M+Na-2H]- 323.14172 188.7
[M]+ 302.16650 180.8
[M]- 302.16760 180.8
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

patents stripe