CID 79357398

Sodium 2-fluoro-2-(2,2,2-trifluoroethoxy)acetate

Structural Information

Molecular Formula
C4H4F4O3
SMILES
C(C(F)(F)F)OC(C(=O)O)F
InChI
InChI=1S/C4H4F4O3/c5-2(3(9)10)11-1-4(6,7)8/h2H,1H2,(H,9,10)
InChIKey
JUKMLZRPRGKCMG-UHFFFAOYSA-N
Compound name
2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.00966 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.016936 127.2
[M+Na]+ 198.998878 135.2
[M-H]- 175.002384 121.2
[M+NH4]+ 194.043483 146.3
[M+K]+ 214.972818 135.0
[M+H-H2O]+ 159.006920 119.9
[M+HCOO]- 221.007861 143.3
[M+CH3COO]- 235.023511 176.0
[M+Na-2H]- 196.984326 130.7
[M]+ 176.00911142 122.5
[M]- 176.01020858 122.5
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.