CID 101567676

Beta-oh 5:3 ftca

Structural Information

Molecular Formula
C8H5F11O3
SMILES
C(C(C(=O)O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F11O3/c9-4(10,1-2(20)3(21)22)5(11,12)6(13,14)7(15,16)8(17,18)19/h2,20H,1H2,(H,21,22)
InChIKey
RAPSXLVXMPNRGD-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

358.00632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.013596 161.5
[M+Na]+ 380.995538 169.3
[M-H]- 356.999044 146.5
[M+NH4]+ 376.040143 150.8
[M+K]+ 396.969478 166.7
[M+H-H2O]+ 341.003580 150.0
[M+HCOO]- 403.004521 160.6
[M+CH3COO]- 417.020171 208.4
[M+Na-2H]- 378.980986 163.1
[M]+ 358.00577142 143.8
[M]- 358.00686858 143.8
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.