CID 139595287

N:2 ftacr n=5

Structural Information

Molecular Formula
C12H11F11O2
SMILES
CC(=C)CC(=O)OCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H11F11O2/c1-6(2)5-7(24)25-4-3-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h1,3-5H2,2H3
InChIKey
HRIFGEKVSFJRLK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.05835 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06563 191.6
[M+Na]+ 419.04757 191.3
[M+NH4]+ 414.09217 190.2
[M+K]+ 435.02151 189.3
[M-H]- 395.05107 184.7
[M+Na-2H]- 417.03302 188.2
[M]+ 396.05780 189.3
[M]- 396.05890 189.3
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.