CID 146049320

2222809-27-8

Structural Information

Molecular Formula
C8H10F7O5P
SMILES
CCOC(=O)C(F)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C8H10F7O5P/c1-2-18-6(16)5(9)21(17,19-3-7(10,11)12)20-4-8(13,14)15/h5H,2-4H2,1H3
InChIKey
GHDWLAJBGZNFBU-UHFFFAOYSA-N
Compound name
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0154 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02268 168.9
[M+Na]+ 373.00462 176.4
[M-H]- 349.00812 159.3
[M+NH4]+ 368.04922 166.7
[M+K]+ 388.97856 176.1
[M+H-H2O]+ 333.01266 156.5
[M+HCOO]- 395.01360 176.6
[M+CH3COO]- 409.02925 208.7
[M+Na-2H]- 370.99007 168.9
[M]+ 350.01485 165.9
[M]- 350.01595 165.9
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.