CID 82004605

Potassium 2-(2,2-difluoroethoxy)-2-fluoroacetate

Structural Information

Molecular Formula
C4H5F3O3
SMILES
C(C(F)F)OC(C(=O)O)F
InChI
InChI=1S/C4H5F3O3/c5-2(6)1-10-3(7)4(8)9/h2-3H,1H2,(H,8,9)
InChIKey
BPLIHSRSOMUPRI-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01907 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.026346 125.3
[M+Na]+ 181.008288 132.6
[M-H]- 157.011794 120.5
[M+NH4]+ 176.052893 145.1
[M+K]+ 196.982228 132.8
[M+H-H2O]+ 141.016330 118.4
[M+HCOO]- 203.017271 143.0
[M+CH3COO]- 217.032921 174.4
[M+Na-2H]- 178.993736 127.4
[M]+ 158.01852142 121.9
[M]- 158.01961858 121.9
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.