CID 101567676

Dtxsid901347244

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
1
Annotation Hits

0
References

0
Patents

358.00632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01360 161.5
[M+Na]+ 380.99554 169.3
[M-H]- 356.99904 146.5
[M+NH4]+ 376.04014 150.8
[M+K]+ 396.96948 166.7
[M+H-H2O]+ 341.00358 150.0
[M+HCOO]- 403.00452 160.6
[M+CH3COO]- 417.02017 208.4
[M+Na-2H]- 378.98099 163.1
[M]+ 358.00577 143.8
[M]- 358.00687 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.