CID 67923

2,2,3,3,4,4,4-heptafluorobutyl acrylate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2741
Patents

254.01778 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe