CID 13415099

74325-03-4

Structural Information

Molecular Formula

C₁₀H₉FO₂

SMILES

COC(=O)/C=C/C1=CC(=CC=C1)F

InChI

InChI=1S/C10H9FO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+

InChIKey

FLDMXKIURVHYKV-AATRIKPKSA-N

Compound name

methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 180.05865 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe