CID 12815505

7580-88-3

Structural Information

Molecular Formula
C6H9FO2
SMILES
CCOC(=O)C(=C)CF
InChI
InChI=1S/C6H9FO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKey
UMJWVRIJGCYYTH-UHFFFAOYSA-N
Compound name
ethyl 2-(fluoromethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

132.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 124.6
[M+Na]+ 155.047868 132.1
[M-H]- 131.051374 123.8
[M+NH4]+ 150.092473 146.6
[M+K]+ 171.021808 132.2
[M+H-H2O]+ 115.055910 119.5
[M+HCOO]- 177.056851 146.3
[M+CH3COO]- 191.072501 173.0
[M+Na-2H]- 153.033316 128.8
[M]+ 132.05810142 124.9
[M]- 132.05919858 124.9
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