CID 5166354

Cyclohexyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C12H11F11O3
SMILES
C1CCC(CC1)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H11F11O3/c13-8(10(16,17)18,7(24)25-6-4-2-1-3-5-6)26-12(22,23)9(14,15)11(19,20)21/h6H,1-5H2
InChIKey
WGQFBRBKBHEWSY-UHFFFAOYSA-N
Compound name
cyclohexyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.05325 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06053 180.9
[M+Na]+ 435.04247 186.9
[M-H]- 411.04597 170.3
[M+NH4]+ 430.08707 190.4
[M+K]+ 451.01641 184.4
[M+H-H2O]+ 395.05051 167.5
[M+HCOO]- 457.05145 180.6
[M+CH3COO]- 471.06710 219.1
[M+Na-2H]- 433.02792 182.2
[M]+ 412.05270 162.9
[M]- 412.05380 162.9
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.