CID 97387

5-chloro-2-(methylamino)benzamide

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CNC1=C(C=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C8H9ClN2O/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3,(H2,10,12)
InChIKey
ZUYIIDOKGIRIKI-UHFFFAOYSA-N
Compound name
5-chloro-2-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

16
Patents

184.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.8
[M+Na]+ 207.02956 145.6
[M-H]- 183.03306 140.5
[M+NH4]+ 202.07416 157.0
[M+K]+ 223.00350 141.9
[M+H-H2O]+ 167.03760 132.0
[M+HCOO]- 229.03854 158.0
[M+CH3COO]- 243.05419 185.5
[M+Na-2H]- 205.01501 141.8
[M]+ 184.03979 136.7
[M]- 184.04089 136.7
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