CID 43700925

1154726-62-1

Structural Information

Molecular Formula

C₁₀H₈FNO₃

SMILES

C=CC(=O)NC1=CC(=C(C=C1)F)C(=O)O

InChI

InChI=1S/C10H8FNO3/c1-2-9(13)12-6-3-4-8(11)7(5-6)10(14)15/h2-5H,1H2,(H,12,13)(H,14,15)

InChIKey

TVUGZFAXCRPGCZ-UHFFFAOYSA-N

Compound name

2-fluoro-5-(prop-2-enoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.04883 Da
Monoisotopic Mass: 2.1
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]+	210.056106	141.0
[M+Na]+	232.038048	148.9
[M-H]-	208.041554	142.5
[M+NH4]+	227.082653	158.9
[M+K]+	248.011988	146.1
[M+H-H2O]+	192.046090	134.4
[M+HCOO]-	254.047031	163.0
[M+CH3COO]-	268.062681	186.3
[M+Na-2H]-	230.023496	144.1
[M]+	209.04828142	139.1
[M]-	209.04937858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.