CID 23234139

Ethyl 4-fluorobut-2-ynoate

Structural Information

Molecular Formula
C6H7FO2
SMILES
CCOC(=O)C#CCF
InChI
InChI=1S/C6H7FO2/c1-2-9-6(8)4-3-5-7/h2,5H2,1H3
InChIKey
QOQFTINFKRNQTO-UHFFFAOYSA-N
Compound name
ethyl 4-fluorobut-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

130.04301 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05029 120.8
[M+Na]+ 153.03223 130.7
[M-H]- 129.03573 119.6
[M+NH4]+ 148.07683 140.7
[M+K]+ 169.00617 129.7
[M+H-H2O]+ 113.04027 109.8
[M+HCOO]- 175.04121 138.1
[M+CH3COO]- 189.05686 179.4
[M+Na-2H]- 151.01768 125.9
[M]+ 130.04246 116.4
[M]- 130.04356 116.4
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