CID 138396460

2,2,4,5,5,5-hexafluoro-3,3,4-tris(trifluoromethyl)pentanoic acid

Structural Information

Molecular Formula
C8HF15O2
SMILES
C(=O)(C(C(C(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(5(12,13)14,6(15,16)17)4(11,7(18,19)20)8(21,22)23/h(H,24,25)
InChIKey
FAJNUIJJBSAMFG-UHFFFAOYSA-N
Compound name
2,2,4,5,5,5-hexafluoro-3,3,4-tris(trifluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.9737 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.98098 169.4
[M+Na]+ 436.96292 169.3
[M+NH4]+ 432.00752 168.8
[M+K]+ 452.93686 169.1
[M-H]- 412.96642 166.6
[M+Na-2H]- 434.94837 168.7
[M]+ 413.97315 168.5
[M]- 413.97425 168.5
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.