CID 587821

6212-33-5

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

C1=CC(=CC=C1C(C(=O)O)N)Cl

InChI

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

InChIKey

QGJGBYXRJVIYGA-UHFFFAOYSA-N

Compound name

2-amino-2-(4-chlorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 742
Patents: 185.02435 Da
Monoisotopic Mass: -1.1
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	135.4
[M+Na]+	208.01357	147.1
[M+NH4]+	203.05817	143.4
[M+K]+	223.98751	142.1
[M-H]-	184.01707	136.8
[M+Na-2H]-	205.99902	141.2
[M]+	185.02380	137.5
[M]-	185.02490	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe