CID 11351

4-tert-butyl-2-phenylphenol

Structural Information

Molecular Formula
C16H18O
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3
InChIKey
IYPYKRAEQZVXSC-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

150
Patents

226.13577 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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