CID 2776222

50836-66-3

Structural Information

Molecular Formula
C13H9F15O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H9F15O2/c1-5(2)6(29)30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h1,3-4H2,2H3
InChIKey
SAIYGCOTLRCBJP-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

364
Patents

482.03632 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04360 171.4
[M+Na]+ 505.02554 171.3
[M+NH4]+ 500.07014 170.8
[M+K]+ 520.99948 171.0
[M-H]- 481.02904 168.6
[M+Na-2H]- 503.01099 170.6
[M]+ 482.03577 170.5
[M]- 482.03687 170.5
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

patents stripe