CID 119747

27905-45-9

Structural Information

Molecular Formula
C13H7F17O2
SMILES
C=CC(=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/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2
InChIKey
QUKRIOLKOHUUBM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

5103
Patents

518.01746 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.02474 163.4
[M+Na]+ 541.00668 163.4
[M+NH4]+ 536.05128 163.1
[M+K]+ 556.98062 163.6
[M-H]- 517.01018 161.9
[M+Na-2H]- 538.99213 163.5
[M]+ 518.01691 162.9
[M]- 518.01801 162.9
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