CID 2735874

Allyl perfluoropentanoate

Structural Information

Molecular Formula
C8H5F9O2
SMILES
C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2
InChIKey
OUJAXDQRZMGUOM-UHFFFAOYSA-N
Compound name
prop-2-enyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

304.0146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02188 153.6
[M+Na]+ 327.00382 162.5
[M-H]- 303.00732 143.2
[M+NH4]+ 322.04842 168.0
[M+K]+ 342.97776 160.1
[M+H-H2O]+ 287.01186 142.8
[M+HCOO]- 349.01280 160.8
[M+CH3COO]- 363.02845 202.5
[M+Na-2H]- 324.98927 156.8
[M]+ 304.01405 141.8
[M]- 304.01515 141.8
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