CID 108825

59748-19-5

Structural Information

Molecular Formula
C29H34O2
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC
InChI
InChI=1S/C29H34O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h11-22H,3-10H2,1-2H3
InChIKey
HYRFINJDWFLMME-UHFFFAOYSA-N
Compound name
(4-pentylphenyl) 4-(4-pentylphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.2559 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.26318 209.0
[M+Na]+ 437.24512 224.7
[M+NH4]+ 432.28972 216.8
[M+K]+ 453.21906 213.1
[M-H]- 413.24862 216.2
[M+Na-2H]- 435.23057 218.8
[M]+ 414.25535 213.6
[M]- 414.25645 213.6
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