CID 162345421

Ns00133363

Structural Information

Molecular Formula
C13H9Cl2NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=C(C(=C(C=C2)O)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO3/c14-11-9(5-6-10(17)12(11)15)16-8-4-2-1-3-7(8)13(18)19/h1-6,16-17H,(H,18,19)
InChIKey
PVBYKPBJNQYMNJ-UHFFFAOYSA-N
Compound name
2-(2,3-dichloro-4-hydroxyanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.99594 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.003216 159.1
[M+Na]+ 319.985158 169.1
[M-H]- 295.988664 163.6
[M+NH4]+ 315.029763 174.5
[M+K]+ 335.959098 162.5
[M+H-H2O]+ 279.993200 154.5
[M+HCOO]- 341.994141 172.2
[M+CH3COO]- 356.009791 198.3
[M+Na-2H]- 317.970606 162.1
[M]+ 296.99539142 161.8
[M]- 296.99648858 161.8
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

No patent data available for this compound.