CID 93983526

773869-22-0

Structural Information

Molecular Formula
C5H3F7O2
SMILES
C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H3F7O2/c6-3(1-2(13)14,4(7,8)9)5(10,11)12/h1H2,(H,13,14)
InChIKey
XOCKVJATRHEEPH-UHFFFAOYSA-N
Compound name
3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

228.00212 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00940 136.1
[M+Na]+ 250.99134 145.1
[M-H]- 226.99484 126.8
[M+NH4]+ 246.03594 153.2
[M+K]+ 266.96528 143.3
[M+H-H2O]+ 210.99938 127.3
[M+HCOO]- 273.00032 146.3
[M+CH3COO]- 287.01597 185.5
[M+Na-2H]- 248.97679 140.4
[M]+ 228.00157 125.5
[M]- 228.00267 125.5
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.