CID 172873437

Patiromer

Structural Information

Molecular Formula
C23H37FO2
SMILES
CCC(C)CCCCC(C)CC(CC(CC)(C(=O)O)F)C1=CC=CC=C1
InChI
InChI=1S/C23H37FO2/c1-5-18(3)12-10-11-13-19(4)16-21(20-14-8-7-9-15-20)17-23(24,6-2)22(25)26/h7-9,14-15,18-19,21H,5-6,10-13,16-17H2,1-4H3,(H,25,26)
InChIKey
VARUDMMYOPTDOM-UHFFFAOYSA-N
Compound name
2-ethyl-2-fluoro-6,11-dimethyl-4-phenyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

13
Patents

364.27777 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.28505 196.4
[M+Na]+ 387.26699 197.1
[M-H]- 363.27049 195.1
[M+NH4]+ 382.31159 207.8
[M+K]+ 403.24093 193.4
[M+H-H2O]+ 347.27503 188.3
[M+HCOO]- 409.27597 208.8
[M+CH3COO]- 423.29162 220.1
[M+Na-2H]- 385.25244 191.9
[M]+ 364.27722 197.6
[M]- 364.27832 197.6
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.