CID 2734865

Triethyl 2-fluoro-2-phosphonoacetate

Structural Information

Molecular Formula
C8H16FO5P
SMILES
CCOC(=O)C(F)P(=O)(OCC)OCC
InChI
InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey
FVPISMANESAJQZ-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphoryl-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1122
Patents

242.07195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07923 153.1
[M+Na]+ 265.06117 159.5
[M-H]- 241.06467 150.8
[M+NH4]+ 260.10577 171.2
[M+K]+ 281.03511 160.7
[M+H-H2O]+ 225.06921 145.1
[M+HCOO]- 287.07015 178.5
[M+CH3COO]- 301.08580 192.3
[M+Na-2H]- 263.04662 153.8
[M]+ 242.07140 159.7
[M]- 242.07250 159.7
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