CID 80808

3,3',5,5'-tetra-tert-butylbiphenyl-2,2'-diol

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3
InChIKey
GDGDLBOVIAWEAD-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

696
Patents

410.31848 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32576 201.2
[M+Na]+ 433.30770 207.9
[M-H]- 409.31120 206.0
[M+NH4]+ 428.35230 212.4
[M+K]+ 449.28164 203.9
[M+H-H2O]+ 393.31574 195.6
[M+HCOO]- 455.31668 211.9
[M+CH3COO]- 469.33233 229.7
[M+Na-2H]- 431.29315 202.0
[M]+ 410.31793 204.5
[M]- 410.31903 204.5
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