CID 14233439

2-amino-5-(4-chlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)N)C(=O)O)Cl
InChI
InChI=1S/C13H10ClNO3/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,15H2,(H,16,17)
InChIKey
ANAJELSXTNMAMP-UHFFFAOYSA-N
Compound name
2-amino-5-(4-chlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0349 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.042176 154.6
[M+Na]+ 286.024118 163.7
[M-H]- 262.027624 160.2
[M+NH4]+ 281.068723 171.0
[M+K]+ 301.998058 158.7
[M+H-H2O]+ 246.032160 148.5
[M+HCOO]- 308.033101 173.5
[M+CH3COO]- 322.048751 194.4
[M+Na-2H]- 284.009566 158.3
[M]+ 263.03435142 156.2
[M]- 263.03544858 156.2
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.