CID 92471077

Ns00071093

Structural Information

Molecular Formula
C21H36FO2P
SMILES
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@](=O)(OC)F
InChI
InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7+,11-10+,14-13+,17-16+/t25-/m0/s1
InChIKey
KWKZCGMJGHHOKJ-ZBQLEVTHSA-N
Compound name
(5E,8E,11E,14E)-1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.24368 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.25096 201.9
[M+Na]+ 393.23290 204.8
[M-H]- 369.23640 197.3
[M+NH4]+ 388.27750 194.5
[M+K]+ 409.20684 198.2
[M+H-H2O]+ 353.24094 192.1
[M+HCOO]- 415.24188 213.5
[M+CH3COO]- 429.25753 219.2
[M+Na-2H]- 391.21835 197.7
[M]+ 370.24313 208.1
[M]- 370.24423 208.1
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

No patent data available for this compound.