CID 10985120

226409-30-9

Structural Information

Molecular Formula
C23H27F13O6
SMILES
C=COCCCCOC(=O)C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCCCCOC=C
InChI
InChI=1S/C23H27F13O6/c1-3-39-11-5-7-13-41-16(37)15(17(38)42-14-8-6-12-40-4-2)9-10-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h3-4,15H,1-2,5-14H2
InChIKey
HFIWGHMGTAOCRO-UHFFFAOYSA-N
Compound name
bis(4-ethenoxybutyl) 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.16003 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.16731 165.9
[M+Na]+ 669.14925 166.5
[M+NH4]+ 664.19385 166.9
[M+K]+ 685.12319 167.2
[M-H]- 645.15275 165.5
[M+Na-2H]- 667.13470 165.0
[M]+ 646.15948 166.2
[M]- 646.16058 166.2
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.