CID 57209518

88951-26-2

Structural Information

Molecular Formula
C12H11F11O2
SMILES
C1CC(CCC1C(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H11F11O2/c13-8(14,6-3-1-5(2-4-6)7(24)25)9(15,16)10(17,18)11(19,20)12(21,22)23/h5-6H,1-4H2,(H,24,25)
InChIKey
BLCCCCKQIIVTLU-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.05835 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06563 187.8
[M+Na]+ 419.04757 187.6
[M+NH4]+ 414.09217 186.7
[M+K]+ 435.02151 185.8
[M-H]- 395.05107 181.4
[M+Na-2H]- 417.03302 185.0
[M]+ 396.05780 185.7
[M]- 396.05890 185.7
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

patents stripe