CID 14632790

2h,2h,3h,3h-perfluorooctanoic acid

Structural Information

Molecular Formula
C8H5F11O2
SMILES
C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)
InChIKey
ABFCFCPCGMHSRX-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

66
Patents

342.01138 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.018656 160.7
[M+Na]+ 365.000598 169.2
[M-H]- 341.004104 147.1
[M+NH4]+ 360.045203 172.6
[M+K]+ 380.974538 166.4
[M+H-H2O]+ 325.008640 148.9
[M+HCOO]- 387.009581 162.7
[M+CH3COO]- 401.025231 208.1
[M+Na-2H]- 362.986046 163.4
[M]+ 342.01083142 144.1
[M]- 342.01192858 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

literature stripe

Patent stripe

patents stripe