CID 84109

Benzoic acid, 2-(4-nonylbenzoyl)-

Structural Information

Molecular Formula
C23H28O3
SMILES
CCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C23H28O3/c1-2-3-4-5-6-7-8-11-18-14-16-19(17-15-18)22(24)20-12-9-10-13-21(20)23(25)26/h9-10,12-17H,2-8,11H2,1H3,(H,25,26)
InChIKey
RIMAJWNGTMFZOT-UHFFFAOYSA-N
Compound name
2-(4-nonylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.20386 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.211136 188.8
[M+Na]+ 375.193078 192.6
[M-H]- 351.196584 192.9
[M+NH4]+ 370.237683 200.6
[M+K]+ 391.167018 187.4
[M+H-H2O]+ 335.201120 180.1
[M+HCOO]- 397.202061 207.5
[M+CH3COO]- 411.217711 214.8
[M+Na-2H]- 373.178526 187.6
[M]+ 352.20331142 191.5
[M]- 352.20440858 191.5
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.