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]+ 298.003216 159.8
[M+Na]+ 319.985158 170.2
[M-H]- 295.988664 165.0
[M+NH4]+ 315.029763 175.6
[M+K]+ 335.959098 164.1
[M+H-H2O]+ 279.993200 154.8
[M+HCOO]- 341.994141 173.7
[M+CH3COO]- 356.009791 200.0
[M+Na-2H]- 317.970606 162.1
[M]+ 296.99539142 163.2
[M]- 296.99648858 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

literature stripe

Patent stripe

patents stripe