CID 67185

128-38-1

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
InChIKey
GSOYMOAPJZYXTB-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

5251
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