CID 57945552

Ethenyl undecafluorohexanoate

Structural Information

Molecular Formula
C8H3F11O2
SMILES
C=COC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F11O2/c1-2-21-3(20)4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)19/h2H,1H2
InChIKey
ROYKRYNSWXSKBV-UHFFFAOYSA-N
Compound name
ethenyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

339.99573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.003006 159.2
[M+Na]+ 362.984948 168.6
[M-H]- 338.988454 147.0
[M+NH4]+ 358.029553 171.9
[M+K]+ 378.958888 165.9
[M+H-H2O]+ 322.992990 147.3
[M+HCOO]- 384.993931 162.9
[M+CH3COO]- 399.009581 209.0
[M+Na-2H]- 360.970396 162.4
[M]+ 339.99518142 143.7
[M]- 339.99627858 143.7
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