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
2
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 138.0
[M+Na]+ 247.01641 145.7
[M-H]- 223.01991 129.4
[M+NH4]+ 242.06101 155.1
[M+K]+ 262.99035 144.1
[M+H-H2O]+ 207.02445 129.3
[M+HCOO]- 269.02539 149.5
[M+CH3COO]- 283.04104 187.0
[M+Na-2H]- 245.00186 140.2
[M]+ 224.02664 129.4
[M]- 224.02774 129.4
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

No patent data available for this compound.