CID 14324714

N-(4-amino-3-chlorophenyl)acetamide

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CC(=O)NC1=CC(=C(C=C1)N)Cl
InChI
InChI=1S/C8H9ClN2O/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3,(H,11,12)
InChIKey
CXJJCQWIROJMNQ-UHFFFAOYSA-N
Compound name
N-(4-amino-3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

184.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe