CID 16206029

Einecs 303-137-7

Structural Information

Molecular Formula
C23H9F35O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H9F35O2/c1-5(2)6(59)60-4-3-7(24,25)9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)20(49,50)18(45,46)16(41,42)14(37,38)12(33,34)10(29,30)8(26,22(53,54)55)23(56,57)58/h1,3-4H2,2H3
InChIKey
BEMICOOQLAQVTK-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

982.0044 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 983.011676 249.6
[M+Na]+ 1004.993618 251.4
[M-H]- 980.997124 263.7
[M+NH4]+ 1000.038223 263.1
[M+K]+ 1020.967558 267.8
[M+H-H2O]+ 965.001660 237.1
[M+HCOO]- 1027.002601 260.8
[M+CH3COO]- 1041.018251 279.0
[M+Na-2H]- 1002.979066 251.5
[M]+ 982.00385142 245.7
[M]- 982.00494858 245.7
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.