CID 53416192

Methyl 3-fluorobut-2-enoate

Structural Information

Molecular Formula
C5H7FO2
SMILES
CC(=CC(=O)OC)F
InChI
InChI=1S/C5H7FO2/c1-4(6)3-5(7)8-2/h3H,1-2H3
InChIKey
WLIRSFVYHOLXNY-UHFFFAOYSA-N
Compound name
methyl 3-fluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

118.04301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 120.0
[M+Na]+ 141.032228 128.0
[M-H]- 117.035734 119.4
[M+NH4]+ 136.076833 142.6
[M+K]+ 157.006168 128.4
[M+H-H2O]+ 101.040270 115.1
[M+HCOO]- 163.041211 142.1
[M+CH3COO]- 177.056861 169.3
[M+Na-2H]- 139.017676 124.7
[M]+ 118.04246142 119.8
[M]- 118.04355858 119.8
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