CID 131847337

4,4,5,5,6,6,6-heptafluorohexan-2-yl acetate

Structural Information

Molecular Formula
C8H9F7O2
SMILES
CC(CC(C(C(F)(F)F)(F)F)(F)F)OC(=O)C
InChI
InChI=1S/C8H9F7O2/c1-4(17-5(2)16)3-6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3
InChIKey
BZUFDAKEQILHDE-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluorohexan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05635 178.5
[M+Na]+ 293.03829 180.1
[M+NH4]+ 288.08289 178.6
[M+K]+ 309.01223 177.6
[M-H]- 269.04179 169.0
[M+Na-2H]- 291.02374 175.3
[M]+ 270.04852 175.5
[M]- 270.04962 175.5
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.