CID 101084

2-(4-dodecylbenzoyl)benzoic acid

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

16
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 202.5
[M+Na]+ 417.24002 214.1
[M+NH4]+ 412.28462 208.2
[M+K]+ 433.21396 205.2
[M-H]- 393.24352 205.3
[M+Na-2H]- 415.22547 207.7
[M]+ 394.25025 204.9
[M]- 394.25135 204.9
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