CID 56928670

N:2 ftacr n=6

Structural Information

Molecular Formula
C13H11F13O2
SMILES
CC(=C)CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F13O2/c1-6(2)5-7(27)28-4-3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1,3-5H2,2H3
InChIKey
VYRVJLICNKBAHH-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.05515 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.06243 182.8
[M+Na]+ 469.04437 182.5
[M+NH4]+ 464.08897 181.7
[M+K]+ 485.01831 181.3
[M-H]- 445.04787 178.0
[M+Na-2H]- 467.02982 180.6
[M]+ 446.05460 181.2
[M]- 446.05570 181.2
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.