CID 118899

2,2'-ethylidenebis(4,6-di-tert-butylphenol)

Structural Information

Molecular Formula
C30H46O2
SMILES
CC(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3
InChIKey
DXCHWXWXYPEZKM-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

15155
Patents

438.3498 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.35708 207.2
[M+Na]+ 461.33902 212.8
[M-H]- 437.34252 211.7
[M+NH4]+ 456.38362 217.3
[M+K]+ 477.31296 209.1
[M+H-H2O]+ 421.34706 201.6
[M+HCOO]- 483.34800 216.3
[M+CH3COO]- 497.36365 236.3
[M+Na-2H]- 459.32447 206.2
[M]+ 438.34925 210.7
[M]- 438.35035 210.7
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