CID 165362540

Dtxsid701348777

Structural Information

Molecular Formula
C8H5F11O2
SMILES
C(C(=O)CO)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F11O2/c9-4(10,1-3(21)2-20)5(11,12)6(13,14)7(15,16)8(17,18)19/h20H,1-2H2
InChIKey
TUIZCBLTSMVZHV-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-1-hydroxyoctan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.01138 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.01866 160.7
[M+Na]+ 365.00060 169.2
[M-H]- 341.00410 147.1
[M+NH4]+ 360.04520 172.6
[M+K]+ 380.97454 166.4
[M+H-H2O]+ 325.00864 148.9
[M+HCOO]- 387.00958 162.7
[M+CH3COO]- 401.02523 208.1
[M+Na-2H]- 362.98605 163.4
[M]+ 342.01083 144.1
[M]- 342.01193 144.1
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.