CID 131851813

4,4,5,5,6,6,6-heptafluorohexyl acetate

Structural Information

Molecular Formula
C8H9F7O2
SMILES
CC(=O)OCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F7O2/c1-5(16)17-4-2-3-6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3
InChIKey
ACXWRVKTAODIKP-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluorohexyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.04907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05635 150.2
[M+Na]+ 293.03829 158.4
[M-H]- 269.04179 141.8
[M+NH4]+ 288.08289 166.3
[M+K]+ 309.01223 156.8
[M+H-H2O]+ 253.04633 140.5
[M+HCOO]- 315.04727 160.9
[M+CH3COO]- 329.06292 197.0
[M+Na-2H]- 291.02374 153.4
[M]+ 270.04852 142.6
[M]- 270.04962 142.6
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.