CID 22664433

376-56-7

Structural Information

Molecular Formula
C9H5F11O2
SMILES
C=CC(=O)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F11O2/c1-2-4(21)22-3-5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h2H,1,3H2
InChIKey
JFDAGRQBXXAVSD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

185
Patents

354.01138 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01866 163.9
[M+Na]+ 377.00060 172.9
[M-H]- 353.00410 151.6
[M+NH4]+ 372.04520 155.2
[M+K]+ 392.97454 170.0
[M+H-H2O]+ 337.00864 151.8
[M+HCOO]- 399.00958 167.3
[M+CH3COO]- 413.02523 211.8
[M+Na-2H]- 374.98605 166.6
[M]+ 354.01083 148.8
[M]- 354.01193 148.8
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

patents stripe