CID 88262

4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol

Structural Information

Molecular Formula

C₁₆H₁₈O

SMILES

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

InChI

InChI=1S/C16H18O/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11,17H,1-3H3

InChIKey

NXIXRLZJEZGKGY-UHFFFAOYSA-N

Compound name

4-(4-tert-butylphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 106
Patents: 226.13577 Da
Monoisotopic Mass: 4.9
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]+	227.143046	152.0
[M+Na]+	249.124988	159.9
[M-H]-	225.128494	157.9
[M+NH4]+	244.169593	170.0
[M+K]+	265.098928	155.7
[M+H-H2O]+	209.133030	145.8
[M+HCOO]-	271.133971	173.0
[M+CH3COO]-	285.149621	189.5
[M+Na-2H]-	247.110436	158.0
[M]+	226.13522142	151.7
[M]-	226.13631858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe