CID 139594202

Dtxsid701027818

Structural Information

Molecular Formula

C₁₃H₈Cl₂O₃

SMILES

C1=CC(=CC=C1OC2=CC(=C(C=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,(H,16,17)

InChIKey

ANRVLQXRXVSXOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 281.98505 Da
Monoisotopic Mass: 4.3
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]+	282.99233	156.2
[M+Na]+	304.97427	172.5
[M+NH4]+	300.01887	164.9
[M+K]+	320.94821	164.6
[M-H]-	280.97777	159.9
[M+Na-2H]-	302.95972	165.1
[M]+	281.98450	160.3
[M]-	281.98560	160.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.