CID 56935807

20-fluoro-9z-eicosenoic acid

Structural Information

Molecular Formula
C20H37FO2
SMILES
C(CCCCCF)CCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C20H37FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h2,4H,1,3,5-19H2,(H,22,23)/b4-2-
InChIKey
VPTLBQZTVHYNKN-RQOWECAXSA-N
Compound name
(Z)-20-fluoroicos-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.27777 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.28505 189.2
[M+Na]+ 351.26699 190.6
[M-H]- 327.27049 184.1
[M+NH4]+ 346.31159 202.5
[M+K]+ 367.24093 185.5
[M+H-H2O]+ 311.27503 181.3
[M+HCOO]- 373.27597 205.7
[M+CH3COO]- 387.29162 211.6
[M+Na-2H]- 349.25244 186.5
[M]+ 328.27722 193.5
[M]- 328.27832 193.5
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.