CID 958751

Methyl 4-fluorocinnamate

Structural Information

Molecular Formula
C10H9FO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)F
InChI
InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey
HSNCAEKOZRUMTB-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

180.05865 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 138.2
[M+Na]+ 203.04787 150.2
[M+NH4]+ 198.09247 145.6
[M+K]+ 219.02181 143.7
[M-H]- 179.05137 138.3
[M+Na-2H]- 201.03332 144.1
[M]+ 180.05810 139.7
[M]- 180.05920 139.7
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