CID 85758455

5bzo3bzop

Structural Information

Molecular Formula
C28H30O4
SMILES
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C28H30O4/c1-3-5-6-8-22-11-15-24(16-12-22)28(30)32-26-19-17-25(18-20-26)31-27(29)23-13-9-21(7-4-2)10-14-23/h9-20H,3-8H2,1-2H3
InChIKey
ZPLMAGJVLWMLEJ-UHFFFAOYSA-N
Compound name
[4-(4-pentylbenzoyl)oxyphenyl] 4-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21442 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22170 209.4
[M+Na]+ 453.20364 213.3
[M-H]- 429.20714 217.9
[M+NH4]+ 448.24824 218.3
[M+K]+ 469.17758 208.3
[M+H-H2O]+ 413.21168 198.3
[M+HCOO]- 475.21262 229.2
[M+CH3COO]- 489.22827 229.9
[M+Na-2H]- 451.18909 207.7
[M]+ 430.21387 214.3
[M]- 430.21497 214.3
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

No patent data available for this compound.