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

4
Annotation Hits: 0
References: 0
Patents: 311.0116 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.018876	164.6
[M+Na]+	334.000818	175.1
[M-H]-	310.004324	171.1
[M+NH4]+	329.045423	180.7
[M+K]+	349.974758	169.6
[M+H-H2O]+	294.008860	159.1
[M+HCOO]-	356.009801	179.7
[M+CH3COO]-	370.025451	204.6
[M+Na-2H]-	331.986266	166.8
[M]+	311.01105142	170.2
[M]-	311.01214858	170.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.