CID 116647

P-cumylphenyl benzoate

Structural Information

Molecular Formula
C22H20O2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20O2/c1-22(2,18-11-7-4-8-12-18)19-13-15-20(16-14-19)24-21(23)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKey
IKYNDBQJTHKDIL-UHFFFAOYSA-N
Compound name
[4-(2-phenylpropan-2-yl)phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

316.14633 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15361 177.3
[M+Na]+ 339.13555 193.4
[M+NH4]+ 334.18015 186.1
[M+K]+ 355.10949 184.4
[M-H]- 315.13905 184.1
[M+Na-2H]- 337.12100 189.5
[M]+ 316.14578 181.9
[M]- 316.14688 181.9
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