CID 85723390

20-fluoroeicosanoic acid

Structural Information

Molecular Formula
C20H39FO2
SMILES
C(CCCCCCCCCC(=O)O)CCCCCCCCCF
InChI
InChI=1S/C20H39FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1-19H2,(H,22,23)
InChIKey
SVYIZBOEYBHVGJ-UHFFFAOYSA-N
Compound name
20-fluoroicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2934 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.30068 190.7
[M+Na]+ 353.28262 191.7
[M-H]- 329.28612 185.5
[M+NH4]+ 348.32722 203.9
[M+K]+ 369.25656 187.2
[M+H-H2O]+ 313.29066 182.7
[M+HCOO]- 375.29160 206.9
[M+CH3COO]- 389.30725 213.1
[M+Na-2H]- 351.26807 187.9
[M]+ 330.29285 195.7
[M]- 330.29395 195.7
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.