CID 162519

42479-87-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
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 153.5
[M+Na]+ 249.12499 168.6
[M+NH4]+ 244.16959 162.8
[M+K]+ 265.09893 160.7
[M-H]- 225.12849 158.1
[M+Na-2H]- 247.11044 163.3
[M]+ 226.13522 157.3
[M]- 226.13632 157.3
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