CID 520749

Vinyl heptafluorobutyrate

Structural Information

Molecular Formula
C6H3F7O2
SMILES
C=COC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H,1H2
InChIKey
CJABYGHRZGXUKQ-UHFFFAOYSA-N
Compound name
ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

302
Patents

240.00212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.009396 138.9
[M+Na]+ 262.991338 148.1
[M-H]- 238.994844 130.8
[M+NH4]+ 258.035943 156.1
[M+K]+ 278.965278 146.4
[M+H-H2O]+ 222.999380 129.7
[M+HCOO]- 285.000321 150.4
[M+CH3COO]- 299.015971 190.1
[M+Na-2H]- 260.976786 143.2
[M]+ 240.00157142 129.9
[M]- 240.00266858 129.9
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