CID 2758867

26717-84-0

Structural Information

Molecular Formula
C7H9F3O3
SMILES
CCOC(=O)C=C(C(F)(F)F)OC
InChI
InChI=1S/C7H9F3O3/c1-3-13-6(11)4-5(12-2)7(8,9)10/h4H,3H2,1-2H3
InChIKey
WLLCYFXBJYFXQQ-UHFFFAOYSA-N
Compound name
ethyl 4,4,4-trifluoro-3-methoxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

198.05038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.057656 136.9
[M+Na]+ 221.039598 144.6
[M-H]- 197.043104 133.4
[M+NH4]+ 216.084203 156.3
[M+K]+ 237.013538 144.4
[M+H-H2O]+ 181.047640 130.1
[M+HCOO]- 243.048581 154.9
[M+CH3COO]- 257.064231 182.5
[M+Na-2H]- 219.025046 140.1
[M]+ 198.04983142 135.8
[M]- 198.05092858 135.8
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