CID 2769444

2-(diethoxyphosphoryl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C6H11F2O5P
SMILES
CCOP(=O)(C(C(=O)O)(F)F)OCC
InChI
InChI=1S/C6H11F2O5P/c1-3-12-14(11,13-4-2)6(7,8)5(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKey
VKKHKYAVGAEJBE-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

232.03122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03850 147.0
[M+Na]+ 255.02044 154.4
[M-H]- 231.02394 142.4
[M+NH4]+ 250.06504 164.7
[M+K]+ 270.99438 154.7
[M+H-H2O]+ 215.02848 139.1
[M+HCOO]- 277.02942 169.8
[M+CH3COO]- 291.04507 186.7
[M+Na-2H]- 253.00589 150.0
[M]+ 232.03067 149.8
[M]- 232.03177 149.8
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

patents stripe