CID 2779230

2-propenoic acid, 2,2,3,3,4,4-hexafluoro-1,5-pentanediyl ester

Structural Information

Molecular Formula
C11H10F6O4
SMILES
C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F6O4/c1-3-7(18)20-5-9(12,13)11(16,17)10(14,15)6-21-8(19)4-2/h3-4H,1-2,5-6H2
InChIKey
DOZNAYNLYNBXKE-UHFFFAOYSA-N
Compound name
(2,2,3,3,4,4-hexafluoro-5-prop-2-enoyloxypentyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

99
Patents

320.04834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05562 160.6
[M+Na]+ 343.03756 168.1
[M-H]- 319.04106 153.1
[M+NH4]+ 338.08216 174.5
[M+K]+ 359.01150 165.9
[M+H-H2O]+ 303.04560 151.5
[M+HCOO]- 365.04654 171.6
[M+CH3COO]- 379.06219 204.6
[M+Na-2H]- 341.02301 162.5
[M]+ 320.04779 155.9
[M]- 320.04889 155.9
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