CID 84391

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

Structural Information

Molecular Formula
C29H44O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C29H44O2/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12/h14-17,30-31H,13H2,1-12H3
InChIKey
LXWZXEJDKYWBOW-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10490
Patents

424.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.34142 205.7
[M+Na]+ 447.32336 212.0
[M-H]- 423.32686 210.3
[M+NH4]+ 442.36796 216.4
[M+K]+ 463.29730 207.8
[M+H-H2O]+ 407.33140 200.0
[M+HCOO]- 469.33234 216.1
[M+CH3COO]- 483.34799 232.6
[M+Na-2H]- 445.30881 206.0
[M]+ 424.33359 209.4
[M]- 424.33469 209.4
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