CID 2774977

2,2,3,4,4,4-hexafluorobutyl acrylate

Structural Information

Molecular Formula
C7H6F6O2
SMILES
C=CC(=O)OCC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C7H6F6O2/c1-2-4(14)15-3-6(9,10)5(8)7(11,12)13/h2,5H,1,3H2
InChIKey
LMVLEDTVXAGBJV-UHFFFAOYSA-N
Compound name
2,2,3,4,4,4-hexafluorobutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1835
Patents

236.02719 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03447 141.0
[M+Na]+ 259.01641 149.2
[M-H]- 235.01991 133.8
[M+NH4]+ 254.06101 158.4
[M+K]+ 274.99035 147.7
[M+H-H2O]+ 219.02445 132.0
[M+HCOO]- 281.02539 153.9
[M+CH3COO]- 295.04104 190.4
[M+Na-2H]- 257.00186 143.2
[M]+ 236.02664 133.8
[M]- 236.02774 133.8
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