CID 765145

5-[(4-fluorophenyl)amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₁₁H₁₂FNO₃

SMILES

C1=CC(=CC=C1NC(=O)CCCC(=O)O)F

InChI

InChI=1S/C11H12FNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)

InChIKey

BBDJNGOBAANARV-UHFFFAOYSA-N

Compound name

5-(4-fluoroanilino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 225.08012 Da
Monoisotopic Mass: 1.0
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]+	226.08740	149.3
[M+Na]+	248.06934	158.3
[M+NH4]+	243.11394	154.9
[M+K]+	264.04328	153.7
[M-H]-	224.07284	148.3
[M+Na-2H]-	246.05479	153.1
[M]+	225.07957	149.8
[M]-	225.08067	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe