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: 65
Patents: 302.16705 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.174326	174.1
[M+Na]+	325.156268	179.9
[M-H]-	301.159774	183.2
[M+NH4]+	320.200873	188.4
[M+K]+	341.130208	174.5
[M+H-H2O]+	285.164310	164.9
[M+HCOO]-	347.165251	195.6
[M+CH3COO]-	361.180901	205.5
[M+Na-2H]-	323.141716	180.1
[M]+	302.16650142	174.4
[M]-	302.16759858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe