CID 101369574

Perfluoro-5,5-dimethylhexanoic acid

Structural Information

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

2D Structure

compound 2d structure
2
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 173.7
[M+Na]+ 436.96292 156.7
[M-H]- 412.96642 157.0
[M+NH4]+ 432.00752 158.3
[M+K]+ 452.93686 180.1
[M+H-H2O]+ 396.97096 159.9
[M+HCOO]- 458.97190 169.5
[M+CH3COO]- 472.98755 219.7
[M+Na-2H]- 434.94837 176.4
[M]+ 413.97315 148.8
[M]- 413.97425 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.