CID 108826

59748-32-2

Structural Information

Molecular Formula
C26H28O2
SMILES
CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C26H28O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h8-19H,3-7H2,1-2H3
InChIKey
SUHTWRQMBLXNFP-UHFFFAOYSA-N
Compound name
[4-(4-propylphenyl)phenyl] 4-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

372.20892 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21620 194.9
[M+Na]+ 395.19814 200.1
[M-H]- 371.20164 203.7
[M+NH4]+ 390.24274 206.5
[M+K]+ 411.17208 194.0
[M+H-H2O]+ 355.20618 184.5
[M+HCOO]- 417.20712 215.9
[M+CH3COO]- 431.22277 220.5
[M+Na-2H]- 393.18359 195.3
[M]+ 372.20837 197.7
[M]- 372.20947 197.7
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