CID 54157999

4-amino-3-chloro-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

184.04034 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 137.1
[M+Na]+ 207.029558 146.0
[M-H]- 183.033064 140.8
[M+NH4]+ 202.074163 157.4
[M+K]+ 223.003498 142.2
[M+H-H2O]+ 167.037600 132.3
[M+HCOO]- 229.038541 158.3
[M+CH3COO]- 243.054191 184.9
[M+Na-2H]- 205.015006 142.1
[M]+ 184.03979142 136.9
[M]- 184.04088858 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