CID 198671

Phenol, 2,2'-methylenebis(6-tert-butyl-4-isopropyl-

Structural Information

Molecular Formula
C27H40O2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)C)C(C)(C)C)O
InChI
InChI=1S/C27H40O2/c1-16(2)18-11-20(24(28)22(14-18)26(5,6)7)13-21-12-19(17(3)4)15-23(25(21)29)27(8,9)10/h11-12,14-17,28-29H,13H2,1-10H3
InChIKey
RVVVMCHNTQXDPI-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

396.30283 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.31011 199.3
[M+Na]+ 419.29205 205.1
[M-H]- 395.29555 203.7
[M+NH4]+ 414.33665 210.7
[M+K]+ 435.26599 200.8
[M+H-H2O]+ 379.30009 193.0
[M+HCOO]- 441.30103 211.5
[M+CH3COO]- 455.31668 228.6
[M+Na-2H]- 417.27750 195.5
[M]+ 396.30228 202.3
[M]- 396.30338 202.3
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