CID 76013

2,4-bis(alpha,alpha-dimethylbenzyl)phenol

Structural Information

Molecular Formula
C24H26O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3
InChI
InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3
InChIKey
FMUYQRFTLHAARI-UHFFFAOYSA-N
Compound name
2,4-bis(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

794
Patents

330.19836 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20564 181.9
[M+Na]+ 353.18758 187.7
[M-H]- 329.19108 190.0
[M+NH4]+ 348.23218 194.8
[M+K]+ 369.16152 181.7
[M+H-H2O]+ 313.19562 173.5
[M+HCOO]- 375.19656 199.6
[M+CH3COO]- 389.21221 210.6
[M+Na-2H]- 351.17303 186.7
[M]+ 330.19781 181.0
[M]- 330.19891 181.1
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