CID 3780319

N-(3-chlorophenyl)glycine

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

C1=CC(=CC(=C1)Cl)NCC(=O)O

InChI

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

InChIKey

KZXFAYGKDCLTER-UHFFFAOYSA-N

Compound name

2-(3-chloroanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 148
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	134.9
[M+Na]+	208.01357	143.2
[M-H]-	184.01707	137.5
[M+NH4]+	203.05817	154.7
[M+K]+	223.98751	139.4
[M+H-H2O]+	168.02161	130.4
[M+HCOO]-	230.02255	154.5
[M+CH3COO]-	244.03820	179.5
[M+Na-2H]-	205.99902	141.1
[M]+	185.02380	135.8
[M]-	185.02490	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe