CID 45933757

121368-60-3

Structural Information

Molecular Formula
C23H5F41O8
SMILES
CCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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
InChI
InChI=1S/C23H5F41O8/c1-2-66-3(65)4(24,11(32,33)34)67-19(55,56)6(27,13(38,39)40)69-21(59,60)8(29,15(44,45)46)71-23(63,64)10(31,17(50,51)52)72-22(61,62)9(30,16(47,48)49)70-20(57,58)7(28,14(41,42)43)68-18(53,54)5(25,26)12(35,36)37/h2H2,1H3
InChIKey
WJNZMLAESFFIHG-UHFFFAOYSA-N
Compound name
ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1187.933 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1188.9403 152.5
[M+Na]+ 1210.9222 152.5
[M+NH4]+ 1205.9668 152.5
[M+K]+ 1226.8962 152.5
[M-H]- 1186.9257 152.5
[M+Na-2H]- 1208.9077 152.5
[M]+ 1187.9325 152.5
[M]- 1187.9335 152.5
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.