CID 6249301

4-fluoro-3-methylcinnamic acid

Structural Information

Molecular Formula

C₁₀H₉FO₂

SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)O)F

InChI

InChI=1S/C10H9FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+

InChIKey

JYOBWKXNZLNLRY-HWKANZROSA-N

Compound name

(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	150.0
[M+NH4]+	198.09247	145.3
[M+K]+	219.02181	144.1
[M-H]-	179.05137	137.9
[M+Na-2H]-	201.03332	143.3
[M]+	180.05810	139.6
[M]-	180.05920	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe