CID 139595654

N:2 ftacr n=8

Structural Information

Molecular Formula
C15H11F17O2
SMILES
CC(=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/C15H11F17O2/c1-6(2)5-7(33)34-4-3-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1,3-5H2,2H3
InChIKey
JVIYDLWCNQXGEB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

546.04877 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.05605 182.5
[M+Na]+ 569.03799 188.9
[M-H]- 545.04149 190.9
[M+NH4]+ 564.08259 194.7
[M+K]+ 585.01193 198.3
[M+H-H2O]+ 529.04603 172.9
[M+HCOO]- 591.04697 198.9
[M+CH3COO]- 605.06262 245.4
[M+Na-2H]- 567.02344 181.1
[M]+ 546.04822 181.1
[M]- 546.04932 181.1
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.