CID 2776226

16083-81-1

Structural Information

Molecular Formula
C14H11F15O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3
InChIKey
RPDBRTLKDYJCCE-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

503
Patents

512.0469 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.05418 171.7
[M+Na]+ 535.03612 171.5
[M+NH4]+ 530.08072 171.0
[M+K]+ 551.01006 171.3
[M-H]- 511.03962 168.8
[M+Na-2H]- 533.02157 170.8
[M]+ 512.04635 170.8
[M]- 512.04745 170.8
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