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

11316
Patents

452.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.37270 209.7
[M+Na]+ 475.35464 215.3
[M-H]- 451.35814 214.2
[M+NH4]+ 470.39924 219.3
[M+K]+ 491.32858 211.8
[M+H-H2O]+ 435.36268 204.3
[M+HCOO]- 497.36362 217.8
[M+CH3COO]- 511.37927 239.0
[M+Na-2H]- 473.34009 211.0
[M]+ 452.36487 213.6
[M]- 452.36597 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