CID 2776799

4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid

Structural Information

Molecular Formula
C6H5F7O2
SMILES
C(CC(C(F)(F)F)(C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C6H5F7O2/c7-4(5(8,9)10,6(11,12)13)2-1-3(14)15/h1-2H2,(H,14,15)
InChIKey
ZKMKCYOZMOVHGJ-UHFFFAOYSA-N
Compound name
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

242.01778 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02506 172.4
[M+Na]+ 265.00700 174.1
[M+NH4]+ 260.05160 172.6
[M+K]+ 280.98094 171.7
[M-H]- 241.01050 162.8
[M+Na-2H]- 262.99245 169.4
[M]+ 242.01723 169.4
[M]- 242.01833 169.4
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

patents stripe