CID 71425842

919005-13-3

Structural Information

Molecular Formula
C5H2F8O3
SMILES
C(C(C(=O)O)(F)F)(OC(C(F)(F)F)(F)F)F
InChI
InChI=1S/C5H2F8O3/c6-1(3(7,8)2(14)15)16-5(12,13)4(9,10)11/h1H,(H,14,15)
InChIKey
XEZRGPDPHQWFHV-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-(1,1,2,2,2-pentafluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9876 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99488 176.8
[M+Na]+ 284.97682 177.6
[M+NH4]+ 280.02142 176.1
[M+K]+ 300.95076 175.8
[M-H]- 260.98032 167.2
[M+Na-2H]- 282.96227 173.3
[M]+ 261.98705 173.6
[M]- 261.98815 173.6
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.