CID 230717

5465-90-7

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

C1=CC(=CC=C1NCC(=O)O)Cl

InChI

InChI=1S/C8H8ClNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)

InChIKey

FWALJUXKWWBNEO-UHFFFAOYSA-N

Compound name

2-(4-chloroanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 765
Patents: 185.02435 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]+	186.03163	135.1
[M+Na]+	208.01357	147.4
[M+NH4]+	203.05817	143.4
[M+K]+	223.98751	141.4
[M-H]-	184.01707	136.9
[M+Na-2H]-	205.99902	141.7
[M]+	185.02380	137.5
[M]-	185.02490	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe