CID 154699813

Ns00117544

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₃

SMILES

CC(=O)ONC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO3/c1-9(18)20-17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8,17H,1H3

InChIKey

NFMBWIPSPREWBZ-UHFFFAOYSA-N

Compound name

[4-(2,4-dichlorophenoxy)anilino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.0116 Da
Monoisotopic Mass: 4.8
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	164.2
[M+Na]+	334.000818	173.8
[M-H]-	310.004324	170.8
[M+NH4]+	329.045423	180.2
[M+K]+	349.974758	168.5
[M+H-H2O]+	294.008860	158.3
[M+HCOO]-	356.009801	179.8
[M+CH3COO]-	370.025451	204.0
[M+Na-2H]-	331.986266	168.1
[M]+	311.01105142	170.3
[M]-	311.01214858	170.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.