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]+ 341.00301 159.2
[M+Na]+ 362.98495 168.6
[M-H]- 338.98845 147.0
[M+NH4]+ 358.02955 171.9
[M+K]+ 378.95889 165.9
[M+H-H2O]+ 322.99299 147.3
[M+HCOO]- 384.99393 162.9
[M+CH3COO]- 399.00958 209.0
[M+Na-2H]- 360.97040 162.4
[M]+ 339.99518 143.7
[M]- 339.99628 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