CID 3036526

Benzoic acid, 2-amino-5-(2,4-dichlorophenyl)-

Structural Information

Molecular Formula
C13H9Cl2NO3
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)O)N
InChI
InChI=1S/C13H9Cl2NO3/c14-7-1-4-12(10(15)5-7)19-8-2-3-11(16)9(6-8)13(17)18/h1-6H,16H2,(H,17,18)
InChIKey
DNBRVZFQNDQJOB-UHFFFAOYSA-N
Compound name
2-amino-5-(2,4-dichlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9
Patents

296.99594 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00322 159.8
[M+Na]+ 319.98516 170.2
[M-H]- 295.98866 165.0
[M+NH4]+ 315.02976 175.6
[M+K]+ 335.95910 164.1
[M+H-H2O]+ 279.99320 154.8
[M+HCOO]- 341.99414 173.7
[M+CH3COO]- 356.00979 200.0
[M+Na-2H]- 317.97061 162.1
[M]+ 296.99539 163.2
[M]- 296.99649 163.2
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.