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

2
Patents

118.04301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 120.0
[M+Na]+ 141.03223 128.0
[M-H]- 117.03573 119.4
[M+NH4]+ 136.07683 142.6
[M+K]+ 157.00617 128.4
[M+H-H2O]+ 101.04027 115.1
[M+HCOO]- 163.04121 142.1
[M+CH3COO]- 177.05686 169.3
[M+Na-2H]- 139.01768 124.7
[M]+ 118.04246 119.8
[M]- 118.04356 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