CID 15104041

Ethyl 5,5,5-trifluoropent-2-enoate

Structural Information

Molecular Formula
C7H9F3O2
SMILES
CCOC(=O)/C=C/CC(F)(F)F
InChI
InChI=1S/C7H9F3O2/c1-2-12-6(11)4-3-5-7(8,9)10/h3-4H,2,5H2,1H3/b4-3+
InChIKey
OSBSWFYMPMCZIA-ONEGZZNKSA-N
Compound name
ethyl (E)-5,5,5-trifluoropent-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

182.05547 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.062746 134.3
[M+Na]+ 205.044688 142.3
[M-H]- 181.048194 130.7
[M+NH4]+ 200.089293 154.4
[M+K]+ 221.018628 141.1
[M+H-H2O]+ 165.052730 127.5
[M+HCOO]- 227.053671 153.0
[M+CH3COO]- 241.069321 179.7
[M+Na-2H]- 203.030136 138.6
[M]+ 182.05492142 132.4
[M]- 182.05601858 132.4
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