CID 139594362

N:2 ftacr n=10

Structural Information

Molecular Formula
C17H11F21O2
SMILES
CC(=C)CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H11F21O2/c1-6(2)5-7(39)40-4-3-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h1,3-5H2,2H3
InChIKey
BLELVNRUAGACOR-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.04236 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.04964 153.1
[M+Na]+ 669.03158 153.1
[M+NH4]+ 664.07618 153.1
[M+K]+ 685.00552 153.1
[M-H]- 645.03508 153.0
[M+Na-2H]- 667.01703 153.0
[M]+ 646.04181 153.1
[M]- 646.04291 153.1
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.