CID 9812956

374629-84-2

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

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

InChI

InChI=1S/C8H9ClN2O/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)

InChIKey

WTJCEQGWIVTPRR-UHFFFAOYSA-N

Compound name

2-amino-2-(2-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 184.04034 Da
Monoisotopic Mass: 0.6
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]+	185.04762	137.7
[M+Na]+	207.02956	145.3
[M-H]-	183.03306	140.6
[M+NH4]+	202.07416	157.2
[M+K]+	223.00350	141.6
[M+H-H2O]+	167.03760	132.7
[M+HCOO]-	229.03854	157.3
[M+CH3COO]-	243.05419	184.7
[M+Na-2H]-	205.01501	141.0
[M]+	184.03979	135.6
[M]-	184.04089	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe