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

0
Patents

228.03017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03745 146.3
[M+Na]+ 251.01939 156.6
[M+NH4]+ 246.06399 152.8
[M+K]+ 266.99333 152.2
[M-H]- 227.02289 147.2
[M+Na-2H]- 249.00484 151.0
[M]+ 228.02962 147.9
[M]- 228.03072 147.9
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

No patent data available for this compound.