CID 14651093

2-chloro-4-[(methylcarbamoyl)amino]benzoic acid

Structural Information

Molecular Formula
C9H9ClN2O3
SMILES
CNC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C9H9ClN2O3/c1-11-9(15)12-5-2-3-6(8(13)14)7(10)4-5/h2-4H,1H3,(H,13,14)(H2,11,12,15)
InChIKey
LJAJRCUYEXXYQA-UHFFFAOYSA-N
Compound name
2-chloro-4-(methylcarbamoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.03017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.037446 146.0
[M+Na]+ 251.019388 153.9
[M-H]- 227.022894 148.9
[M+NH4]+ 246.063993 163.8
[M+K]+ 266.993328 150.5
[M+H-H2O]+ 211.027430 141.0
[M+HCOO]- 273.028371 165.7
[M+CH3COO]- 287.044021 189.8
[M+Na-2H]- 249.004836 149.9
[M]+ 228.02962142 146.8
[M]- 228.03071858 146.8
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