CID 86519

Dtxsid40880227

Structural Information

Molecular Formula
C7H5F7O2
SMILES
C=COC(=O)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F7O2/c1-2-16-4(15)3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
InChIKey
JPAQRQFVIPWHNE-UHFFFAOYSA-N
Compound name
ethenyl 3,3,4,4,5,5,5-heptafluoropentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.01778 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02506 143.7
[M+Na]+ 277.00700 152.5
[M-H]- 253.01050 135.5
[M+NH4]+ 272.05160 160.3
[M+K]+ 292.98094 150.6
[M+H-H2O]+ 237.01504 134.3
[M+HCOO]- 299.01598 154.9
[M+CH3COO]- 313.03163 193.0
[M+Na-2H]- 274.99245 147.5
[M]+ 254.01723 135.1
[M]- 254.01833 135.1
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.