CID 71320865

88951-15-9

Structural Information

Molecular Formula
C13H13F11O2
SMILES
COC(=O)C1CCC(CC1)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H13F11O2/c1-26-8(25)6-2-4-7(5-3-6)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h6-7H,2-5H2,1H3
InChIKey
HAROAHMBILCWPT-UHFFFAOYSA-N
Compound name
methyl 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.07397 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08125 182.1
[M+Na]+ 433.06319 188.6
[M-H]- 409.06669 171.7
[M+NH4]+ 428.10779 191.9
[M+K]+ 449.03713 185.3
[M+H-H2O]+ 393.07123 168.9
[M+HCOO]- 455.07217 181.3
[M+CH3COO]- 469.08782 221.8
[M+Na-2H]- 431.04864 182.1
[M]+ 410.07342 163.4
[M]- 410.07452 163.4
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.