CID 5899037

Ethyl (2e)-4-fluorobut-2-enoate

Structural Information

Molecular Formula
C6H9FO2
SMILES
CCOC(=O)/C=C/CF
InChI
InChI=1S/C6H9FO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+
InChIKey
FUQNDTQEJQPNFY-ONEGZZNKSA-N
Compound name
ethyl (E)-4-fluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

132.05865 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 124.6
[M+Na]+ 155.047868 132.4
[M-H]- 131.051374 123.8
[M+NH4]+ 150.092473 146.8
[M+K]+ 171.021808 132.1
[M+H-H2O]+ 115.055910 119.4
[M+HCOO]- 177.056851 147.4
[M+CH3COO]- 191.072501 171.5
[M+Na-2H]- 153.033316 130.1
[M]+ 132.05810142 125.5
[M]- 132.05919858 125.5
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