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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14305 152.0
[M+Na]+ 249.12499 159.9
[M-H]- 225.12849 157.9
[M+NH4]+ 244.16959 170.0
[M+K]+ 265.09893 155.7
[M+H-H2O]+ 209.13303 145.8
[M+HCOO]- 271.13397 173.0
[M+CH3COO]- 285.14962 189.5
[M+Na-2H]- 247.11044 158.0
[M]+ 226.13522 151.7
[M]- 226.13632 151.7
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