CID 2779862

108682-54-8

Structural Information

Molecular Formula
C14H26F3O6P
SMILES
CCCCCOP(=O)(OCCCCC)OC(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C14H26F3O6P/c1-4-6-8-10-21-24(19,22-11-9-7-5-2)23-12(13(18)20-3)14(15,16)17/h12H,4-11H2,1-3H3
InChIKey
DGKXSNXZFMGDNC-UHFFFAOYSA-N
Compound name
methyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14918 188.3
[M+Na]+ 401.13112 190.4
[M+NH4]+ 396.17572 205.6
[M+K]+ 417.10506 188.7
[M-H]- 377.13462 178.7
[M+Na-2H]- 399.11657 184.4
[M]+ 378.14135 185.1
[M]- 378.14245 185.1
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.