CID 131853147

1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl acetate

Structural Information

Molecular Formula
C8H9F7O3
SMILES
CC(OCC(C(C(F)(F)F)(F)F)(F)F)OC(=O)C
InChI
InChI=1S/C8H9F7O3/c1-4(16)18-5(2)17-3-6(9,10)7(11,12)8(13,14)15/h5H,3H2,1-2H3
InChIKey
SVXWRCWGDAYFHY-UHFFFAOYSA-N
Compound name
1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.044 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05128 152.0
[M+Na]+ 309.03322 159.9
[M-H]- 285.03672 143.6
[M+NH4]+ 304.07782 167.3
[M+K]+ 325.00716 159.3
[M+H-H2O]+ 269.04126 142.3
[M+HCOO]- 331.04220 162.0
[M+CH3COO]- 345.05785 199.7
[M+Na-2H]- 307.01867 154.3
[M]+ 286.04345 145.2
[M]- 286.04455 145.2
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.