CID 80404

3,4',5-tris(1,1-dimethylethyl)(1,1'-biphenyl)-4-ol

Structural Information

Molecular Formula
C24H34O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C24H34O/c1-22(2,3)18-12-10-16(11-13-18)17-14-19(23(4,5)6)21(25)20(15-17)24(7,8)9/h10-15,25H,1-9H3
InChIKey
USTAEAIVHPZIQS-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(4-tert-butylphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

338.26096 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.26824 184.2
[M+Na]+ 361.25018 191.3
[M-H]- 337.25368 190.1
[M+NH4]+ 356.29478 198.5
[M+K]+ 377.22412 186.9
[M+H-H2O]+ 321.25822 178.1
[M+HCOO]- 383.25916 199.2
[M+CH3COO]- 397.27481 215.7
[M+Na-2H]- 359.23563 186.8
[M]+ 338.26041 186.4
[M]- 338.26151 186.4
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