CID 102170

1841-46-9

Structural Information

Molecular Formula
C13H8F16O2
SMILES
CC(=C)C(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F16O2/c1-4(2)5(30)31-3-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h6H,1,3H2,2H3
InChIKey
XAENZTGUQXVFPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

458
Patents

500.0269 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.03418 166.5
[M+Na]+ 523.01612 166.4
[M+NH4]+ 518.06072 166.0
[M+K]+ 538.99006 166.4
[M-H]- 499.01962 164.4
[M+Na-2H]- 521.00157 166.2
[M]+ 500.02635 165.8
[M]- 500.02745 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe