CID 6433333

2367-25-1

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

6
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 119.9
[M+Na]+ 141.032228 128.1
[M-H]- 117.035734 119.2
[M+NH4]+ 136.076833 142.6
[M+K]+ 157.006168 128.0
[M+H-H2O]+ 101.040270 114.9
[M+HCOO]- 163.041211 143.0
[M+CH3COO]- 177.056861 168.5
[M+Na-2H]- 139.017676 125.9
[M]+ 118.04246142 120.4
[M]- 118.04355858 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