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]+ 1033.008476 257.2
[M+Na]+ 1054.990418 258.7
[M-H]- 1030.993924 271.3
[M+NH4]+ 1050.035023 270.2
[M+K]+ 1070.964358 274.8
[M+H-H2O]+ 1014.998460 245.1
[M+HCOO]- 1076.999401 267.7
[M+CH3COO]- 1091.015051 279.8
[M+Na-2H]- 1052.975866 259.4
[M]+ 1032.00065142 252.6
[M]- 1032.00174858 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.