CID 1509550

162218-64-6

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)O)OCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H10Cl2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)

InChIKey

JEXMPVYBTQRIEY-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenyl)methoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 296.0007 Da
Monoisotopic Mass: 4.2
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]+	297.007976	158.8
[M+Na]+	318.989918	168.8
[M-H]-	294.993424	164.1
[M+NH4]+	314.034523	175.0
[M+K]+	334.963858	162.7
[M+H-H2O]+	278.997960	153.6
[M+HCOO]-	340.998901	172.0
[M+CH3COO]-	355.014551	197.3
[M+Na-2H]-	316.975366	162.1
[M]+	296.00015142	163.8
[M]-	296.00124858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe