CID 99935

66574-84-3

Structural Information

Molecular Formula

C₁₁H₁₂FNO₃

SMILES

CC(=O)NC(CC1=CC=CC=C1F)C(=O)O

InChI

InChI=1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)

InChIKey

ZKZPFAQDTBSPJH-UHFFFAOYSA-N

Compound name

2-acetamido-3-(2-fluorophenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 103
Patents: 225.08012 Da
Monoisotopic Mass: 1.2
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]+	226.08740	149.3
[M+Na]+	248.06934	158.0
[M+NH4]+	243.11394	154.8
[M+K]+	264.04328	154.2
[M-H]-	224.07284	148.0
[M+Na-2H]-	246.05479	152.8
[M]+	225.07957	149.6
[M]-	225.08067	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe