CID 97091

3598-10-5

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

C1=CC(=CC=C1OCC(=O)N)Cl

InChI

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

InChIKey

RHLHDNNWVXMDAF-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 393
Patents: 185.02435 Da
Monoisotopic Mass: 1.6
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	143.7
[M-H]-	184.01707	138.5
[M+NH4]+	203.05817	155.3
[M+K]+	223.98751	140.5
[M+H-H2O]+	168.02161	130.2
[M+HCOO]-	230.02255	155.5
[M+CH3COO]-	244.03820	181.4
[M+Na-2H]-	205.99902	140.6
[M]+	185.02380	136.8
[M]-	185.02490	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe