CID 21889850

1081765-44-7

Structural Information

Molecular Formula

C₁₀H₉FO₃

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)F

InChI

InChI=1S/C10H9FO3/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+

InChIKey

NVEDFCULNXTLOA-HWKANZROSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 196.05357 Da
Monoisotopic Mass: 2.0
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]+	197.060846	137.7
[M+Na]+	219.042788	146.5
[M-H]-	195.046294	139.2
[M+NH4]+	214.087393	156.7
[M+K]+	235.016728	143.9
[M+H-H2O]+	179.050830	131.4
[M+HCOO]-	241.051771	159.5
[M+CH3COO]-	255.067421	181.2
[M+Na-2H]-	217.028236	141.7
[M]+	196.05302142	137.9
[M]-	196.05411858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe