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

283
Patents

240.00212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00940 138.9
[M+Na]+ 262.99134 148.1
[M-H]- 238.99484 130.8
[M+NH4]+ 258.03594 156.1
[M+K]+ 278.96528 146.4
[M+H-H2O]+ 222.99938 129.7
[M+HCOO]- 285.00032 150.4
[M+CH3COO]- 299.01597 190.1
[M+Na-2H]- 260.97679 143.2
[M]+ 240.00157 129.9
[M]- 240.00267 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