CID 67542

Perfluorohexanoic acid

Structural Information

Molecular Formula
C6HF11O2
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChIKey
PXUULQAPEKKVAH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

193
References

2863
Patents

313.9801 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98738 151.4
[M+Na]+ 336.96932 160.6
[M-H]- 312.97282 138.0
[M+NH4]+ 332.01392 164.3
[M+K]+ 352.94326 158.2
[M+H-H2O]+ 296.97736 139.9
[M+HCOO]- 358.97830 154.0
[M+CH3COO]- 372.99395 202.5
[M+Na-2H]- 334.95477 155.0
[M]+ 313.97955 134.0
[M]- 313.98065 134.0
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.