CID 163074

Einecs 265-438-9

Structural Information

Molecular Formula
C24H9F37O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(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)F)(F)F)(F)F
InChI
InChI=1S/C24H9F37O2/c1-5(2)6(62)63-4-3-7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)17(45,46)18(47,48)19(49,50)20(51,52)21(53,54)22(55,56)23(57,58)24(59,60)61/h1,3-4H2,2H3
InChIKey
OWAQRMVKMUUGIA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1032.0012 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.0085 257.2
[M+Na]+ 1054.9904 258.7
[M-H]- 1030.9939 271.3
[M+NH4]+ 1050.0350 270.2
[M+K]+ 1070.9644 274.8
[M+H-H2O]+ 1014.9985 245.1
[M+HCOO]- 1076.9994 267.7
[M+CH3COO]- 1091.0151 279.8
[M+Na-2H]- 1052.9759 259.4
[M]+ 1032.0007 252.6
[M]- 1032.0017 252.6
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.