CID 3476861

440341-64-0

Structural Information

Molecular Formula

C₁₀H₁₀FNO₃

SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)O)F

InChI

InChI=1S/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)

InChIKey

PJBOGHUSZFFYNT-UHFFFAOYSA-N

Compound name

3-[(4-fluorobenzoyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 211.06447 Da
Monoisotopic Mass: 0.8
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]+	212.07175	144.8
[M+Na]+	234.05369	154.1
[M+NH4]+	229.09829	150.6
[M+K]+	250.02763	149.7
[M-H]-	210.05719	143.8
[M+Na-2H]-	232.03914	148.9
[M]+	211.06392	145.3
[M]-	211.06502	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe