CID 104225

3,3,4,4,4-pentafluorobutyl methacrylate

Structural Information

Molecular Formula
C8H9F5O2
SMILES
CC(=C)C(=O)OCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H9F5O2/c1-5(2)6(14)15-4-3-7(9,10)8(11,12)13/h1,3-4H2,2H3
InChIKey
DJMQEXDGIXFVSC-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

232.05228 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05956 142.8
[M+Na]+ 255.04150 150.6
[M-H]- 231.04500 136.8
[M+NH4]+ 250.08610 160.6
[M+K]+ 271.01544 149.3
[M+H-H2O]+ 215.04954 134.7
[M+HCOO]- 277.05048 156.5
[M+CH3COO]- 291.06613 190.4
[M+Na-2H]- 253.02695 145.2
[M]+ 232.05173 137.4
[M]- 232.05283 137.4
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