CID 101084

Benzoic acid, 2-(4-dodecylbenzoyl)-

Structural Information

Molecular Formula
C26H34O3
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C26H34O3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-19-22(20-18-21)25(27)23-15-12-13-16-24(23)26(28)29/h12-13,15-20H,2-11,14H2,1H3,(H,28,29)
InChIKey
UVZVUCQBMKTREQ-UHFFFAOYSA-N
Compound name
2-(4-dodecylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

394.2508 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25808 202.4
[M+Na]+ 417.24002 204.8
[M-H]- 393.24352 205.8
[M+NH4]+ 412.28462 212.4
[M+K]+ 433.21396 198.9
[M+H-H2O]+ 377.24806 193.0
[M+HCOO]- 439.24900 220.1
[M+CH3COO]- 453.26465 223.6
[M+Na-2H]- 415.22547 199.6
[M]+ 394.25025 206.1
[M]- 394.25135 206.1
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