CID 46308

4,4'-di-tert-butyl-o,o'-biphenol

Structural Information

Molecular Formula

C₂₀H₂₆O₂

SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)O)O

InChI

InChI=1S/C20H26O2/c1-19(2,3)13-7-9-15(17(21)11-13)16-10-8-14(12-18(16)22)20(4,5)6/h7-12,21-22H,1-6H3

InChIKey

ITTKJDWXXRDSQO-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-(4-tert-butyl-2-hydroxyphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 298.19327 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.200546	172.6
[M+Na]+	321.182488	180.3
[M-H]-	297.185994	177.4
[M+NH4]+	316.227093	187.6
[M+K]+	337.156428	175.9
[M+H-H2O]+	281.190530	166.6
[M+HCOO]-	343.191471	189.2
[M+CH3COO]-	357.207121	203.4
[M+Na-2H]-	319.167936	175.6
[M]+	298.19272142	173.5
[M]-	298.19381858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe