CID 83649

Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C31H48O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C31H48O2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)31(13,14)20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChIKey
QHPKIUDQDCWRKO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10306
Patents

452.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.372696 209.7
[M+Na]+ 475.354638 215.3
[M-H]- 451.358144 214.2
[M+NH4]+ 470.399243 219.3
[M+K]+ 491.328578 211.8
[M+H-H2O]+ 435.362680 204.3
[M+HCOO]- 497.363621 217.8
[M+CH3COO]- 511.379271 239.0
[M+Na-2H]- 473.340086 211.0
[M]+ 452.36487142 213.6
[M]- 452.36596858 213.6
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