CID 15269881

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

Structural Information

Molecular Formula
C11H11F11O3
SMILES
CCCCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11H11F11O3/c1-2-3-4-5-24-6(23)7(12,9(15,16)17)25-11(21,22)8(13,14)10(18,19)20/h2-5H2,1H3
InChIKey
NEIGUPRBJAEGKO-UHFFFAOYSA-N
Compound name
pentyl 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

400.05325 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06053 178.0
[M+Na]+ 423.04247 185.9
[M-H]- 399.04597 161.3
[M+NH4]+ 418.08707 166.7
[M+K]+ 439.01641 183.6
[M+H-H2O]+ 383.05051 165.3
[M+HCOO]- 445.05145 178.1
[M+CH3COO]- 459.06710 219.5
[M+Na-2H]- 421.02792 179.9
[M]+ 400.05270 165.5
[M]- 400.05380 165.5
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.