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
2
Annotation Hits

0
References

61
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 174.1
[M+Na]+ 325.15627 179.9
[M-H]- 301.15977 183.2
[M+NH4]+ 320.20087 188.4
[M+K]+ 341.13021 174.5
[M+H-H2O]+ 285.16431 164.9
[M+HCOO]- 347.16525 195.6
[M+CH3COO]- 361.18090 205.5
[M+Na-2H]- 323.14172 180.1
[M]+ 302.16650 174.4
[M]- 302.16760 174.4
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