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 182.1
[M+Na]+ 401.13112 188.9
[M-H]- 377.13462 179.9
[M+NH4]+ 396.17572 189.7
[M+K]+ 417.10506 184.2
[M+H-H2O]+ 361.13916 178.7
[M+HCOO]- 423.14010 198.3
[M+CH3COO]- 437.15575 217.3
[M+Na-2H]- 399.11657 187.4
[M]+ 378.14135 181.7
[M]- 378.14245 181.7
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.