CID 634812

2,4,6-tris(1-methyl-1-phenylethyl)phenol

Structural Information

Molecular Formula
C33H36O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C3=CC=CC=C3)O)C(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3
InChIKey
CEHYZIXIKLSACQ-UHFFFAOYSA-N
Compound name
2,4,6-tris(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

448.2766 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.28388 214.5
[M+Na]+ 471.26582 218.4
[M-H]- 447.26932 224.7
[M+NH4]+ 466.31042 221.9
[M+K]+ 487.23976 211.3
[M+H-H2O]+ 431.27386 203.7
[M+HCOO]- 493.27480 228.2
[M+CH3COO]- 507.29045 234.6
[M+Na-2H]- 469.25127 217.2
[M]+ 448.27605 213.4
[M]- 448.27715 213.4
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