CID 16785917

3-amino-4-chloro-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

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

InChI

InChI=1S/C9H11ClN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3

InChIKey

NMXZBISDUNEGQP-UHFFFAOYSA-N

Compound name

3-amino-4-chloro-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 198.05598 Da
Monoisotopic Mass: 1.8
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]+	199.06326	141.5
[M+Na]+	221.04520	150.1
[M-H]-	197.04870	146.6
[M+NH4]+	216.08980	161.9
[M+K]+	237.01914	147.5
[M+H-H2O]+	181.05324	136.3
[M+HCOO]-	243.05418	162.9
[M+CH3COO]-	257.06983	191.3
[M+Na-2H]-	219.03065	145.2
[M]+	198.05543	143.0
[M]-	198.05653	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe