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

29
Patents

396.30283 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.310106 199.3
[M+Na]+ 419.292048 205.1
[M-H]- 395.295554 203.7
[M+NH4]+ 414.336653 210.7
[M+K]+ 435.265988 200.8
[M+H-H2O]+ 379.300090 193.0
[M+HCOO]- 441.301031 211.5
[M+CH3COO]- 455.316681 228.6
[M+Na-2H]- 417.277496 195.5
[M]+ 396.30228142 202.3
[M]- 396.30337858 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