CID 148857

Methyl 2-amino-5-(2,4-dichlorophenoxy)benzoate

Structural Information

Molecular Formula
C14H11Cl2NO3
SMILES
COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C14H11Cl2NO3/c1-19-14(18)10-7-9(3-4-12(10)17)20-13-5-2-8(15)6-11(13)16/h2-7H,17H2,1H3
InChIKey
UJNYCLXVVRNMCE-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-(2,4-dichlorophenoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

311.0116 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01888 165.1
[M+Na]+ 334.00082 180.6
[M+NH4]+ 329.04542 173.3
[M+K]+ 349.97476 172.8
[M-H]- 310.00432 169.3
[M+Na-2H]- 331.98627 173.2
[M]+ 311.01105 169.1
[M]- 311.01215 169.1
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

No patent data available for this compound.