CID 25021170

Mafp cpd

Structural Information

Molecular Formula
C21H36FO3P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOP(=O)(OC)F
InChI
InChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(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-
InChIKey
HNVKMEOEBANRAT-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-1-[fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

137
References

457
Patents

386.23862 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24590 204.5
[M+Na]+ 409.22784 207.3
[M-H]- 385.23134 199.8
[M+NH4]+ 404.27244 197.6
[M+K]+ 425.20178 201.2
[M+H-H2O]+ 369.23588 194.5
[M+HCOO]- 431.23682 216.0
[M+CH3COO]- 445.25247 221.1
[M+Na-2H]- 407.21329 200.5
[M]+ 386.23807 212.1
[M]- 386.23917 212.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe