CID 102877

2,4-bis(1-phenylethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

4
References

124
Patents

302.16705 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17433 175.3
[M+Na]+ 325.15627 191.7
[M+NH4]+ 320.20087 184.7
[M+K]+ 341.13021 182.3
[M-H]- 301.15977 182.8
[M+Na-2H]- 323.14172 186.9
[M]+ 302.16650 180.1
[M]- 302.16760 180.1
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