CID 139594557

Mhpflca n=2

Structural Information

Molecular Formula
C6H6F6O2
SMILES
C(C(F)F)C(CC(C(=O)O)(F)F)(F)F
InChI
InChI=1S/C6H6F6O2/c7-3(8)1-5(9,10)2-6(11,12)4(13)14/h3H,1-2H2,(H,13,14)
InChIKey
CLETVOIFUYDZSQ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02719 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03447 163.8
[M+Na]+ 247.01641 166.2
[M+NH4]+ 242.06101 164.8
[M+K]+ 262.99035 163.8
[M-H]- 223.01991 154.4
[M+Na-2H]- 245.00186 161.3
[M]+ 224.02664 160.9
[M]- 224.02774 160.9
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.