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

59
Patents

342.01138 Da
Monoisotopic Mass

3.9
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.