CID 11759356

Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate

Structural Information

Molecular Formula
C8H11F6O5P
SMILES
CCOC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C8H11F6O5P/c1-2-17-6(15)3-20(16,18-4-7(9,10)11)19-5-8(12,13)14/h2-5H2,1H3
InChIKey
HBYHPBCAZBLFTD-UHFFFAOYSA-N
Compound name
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

332.02484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03212 167.0
[M+Na]+ 355.01406 174.7
[M-H]- 331.01756 158.6
[M+NH4]+ 350.05866 163.2
[M+K]+ 370.98800 174.3
[M+H-H2O]+ 315.02210 155.4
[M+HCOO]- 377.02304 177.2
[M+CH3COO]- 391.03869 205.1
[M+Na-2H]- 352.99951 168.6
[M]+ 332.02429 166.1
[M]- 332.02539 166.1
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