CID 16772320

5-amino-2-chloro-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

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

InChI

InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3,(H,11,12)

InChIKey

WDZISULUDCXQAQ-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 184.04034 Da
Monoisotopic Mass: 1.3
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	137.1
[M+Na]+	207.02956	146.0
[M-H]-	183.03306	140.8
[M+NH4]+	202.07416	157.4
[M+K]+	223.00350	142.2
[M+H-H2O]+	167.03760	132.3
[M+HCOO]-	229.03854	158.3
[M+CH3COO]-	243.05419	184.9
[M+Na-2H]-	205.01501	142.1
[M]+	184.03979	136.9
[M]-	184.04089	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe