CID 16205307

Einecs 277-790-0

Structural Information

Molecular Formula
C19H9F27O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H9F27O2/c1-5(2)6(47)48-4-3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h1,3-4H2,2H3
InChIKey
NZSKSDOUVOVFHC-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

782.01715 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 783.02443 152.6
[M+Na]+ 805.00637 152.6
[M+NH4]+ 800.05097 152.6
[M+K]+ 820.98031 152.6
[M-H]- 781.00987 152.6
[M+Na-2H]- 802.99182 152.6
[M]+ 782.01660 152.6
[M]- 782.01770 152.6
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.