CID 549772

2,2,3,4,4,4-hexafluorobutyl methacrylate

Structural Information

Molecular Formula
C8H8F6O2
SMILES
CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C8H8F6O2/c1-4(2)5(15)16-3-7(10,11)6(9)8(12,13)14/h6H,1,3H2,2H3
InChIKey
DFVPUWGVOPDJTC-UHFFFAOYSA-N
Compound name
2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2783
Patents

250.04285 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05013 144.9
[M+Na]+ 273.03207 152.5
[M-H]- 249.03557 137.6
[M+NH4]+ 268.07667 161.7
[M+K]+ 289.00601 151.2
[M+H-H2O]+ 233.04011 135.9
[M+HCOO]- 295.04105 156.5
[M+CH3COO]- 309.05670 194.2
[M+Na-2H]- 271.01752 145.5
[M]+ 250.04230 137.4
[M]- 250.04340 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

literature stripe

Patent stripe

patents stripe