CID 71587358

Tri-tert-butyl-p-phenylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

338.26096 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.268236 184.2
[M+Na]+ 361.250178 191.3
[M-H]- 337.253684 190.1
[M+NH4]+ 356.294783 198.5
[M+K]+ 377.224118 186.9
[M+H-H2O]+ 321.258220 178.1
[M+HCOO]- 383.259161 199.2
[M+CH3COO]- 397.274811 215.7
[M+Na-2H]- 359.235626 186.8
[M]+ 338.26041142 186.4
[M]- 338.26150858 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