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
3
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 140.9
[M+Na]+ 265.00700 149.4
[M-H]- 241.01050 131.4
[M+NH4]+ 260.05160 157.4
[M+K]+ 280.98094 147.5
[M+H-H2O]+ 225.01504 131.9
[M+HCOO]- 287.01598 150.8
[M+CH3COO]- 301.03163 188.4
[M+Na-2H]- 262.99245 144.7
[M]+ 242.01723 130.7
[M]- 242.01833 130.7
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