CID 6433333

Methyl gamma-fluorocrotonate

Structural Information

Molecular Formula
C5H7FO2
SMILES
COC(=O)/C=C/CF
InChI
InChI=1S/C5H7FO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
InChIKey
URXNTGHLANVRSX-NSCUHMNNSA-N
Compound name
methyl (E)-4-fluorobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 119.9
[M+Na]+ 141.03223 128.1
[M-H]- 117.03573 119.2
[M+NH4]+ 136.07683 142.6
[M+K]+ 157.00617 128.0
[M+H-H2O]+ 101.04027 114.9
[M+HCOO]- 163.04121 143.0
[M+CH3COO]- 177.05686 168.5
[M+Na-2H]- 139.01768 125.9
[M]+ 118.04246 120.4
[M]- 118.04356 120.4
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