CID 71425839

919005-24-6

Structural Information

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

2D Structure

compound 2d structure
2
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 140.7
[M+Na]+ 284.97682 149.3
[M-H]- 260.98032 130.1
[M+NH4]+ 280.02142 156.0
[M+K]+ 300.95076 148.2
[M+H-H2O]+ 244.98486 130.8
[M+HCOO]- 306.98580 149.1
[M+CH3COO]- 321.00145 192.0
[M+Na-2H]- 282.96227 143.5
[M]+ 261.98705 129.6
[M]- 261.98815 129.6
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.