CID 13853828

2-amino-4-chloro-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

184.04034 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe