CID 160606

1996-88-9

Structural Information

Molecular Formula
C14H9F17O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3
InChIKey
HBZFBSFGXQBQTB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3299
Patents

532.0331 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.04038 163.5
[M+Na]+ 555.02232 163.5
[M+NH4]+ 550.06692 163.2
[M+K]+ 570.99626 163.8
[M-H]- 531.02582 162.0
[M+Na-2H]- 553.00777 163.6
[M]+ 532.03255 163.0
[M]- 532.03365 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe