CID 16792226

10457-87-1

Structural Information

Molecular Formula

C₁₀H₁₀FNO₃

SMILES

C1=CC(=CC=C1CC(=O)NCC(=O)O)F

InChI

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

InChIKey

UZLARXXVGUWIHQ-UHFFFAOYSA-N

Compound name

2-[[2-(4-fluorophenyl)acetyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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	143.0
[M+Na]+	234.05369	149.6
[M-H]-	210.05719	144.0
[M+NH4]+	229.09829	160.6
[M+K]+	250.02763	147.4
[M+H-H2O]+	194.06173	136.0
[M+HCOO]-	256.06267	164.8
[M+CH3COO]-	270.07832	185.9
[M+Na-2H]-	232.03914	146.7
[M]+	211.06392	141.4
[M]-	211.06502	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe