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]+ 353.21114 188.8
[M+Na]+ 375.19308 192.6
[M-H]- 351.19658 192.9
[M+NH4]+ 370.23768 200.6
[M+K]+ 391.16702 187.4
[M+H-H2O]+ 335.20112 180.1
[M+HCOO]- 397.20206 207.5
[M+CH3COO]- 411.21771 214.8
[M+Na-2H]- 373.17853 187.6
[M]+ 352.20331 191.5
[M]- 352.20441 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.