CID 36678

34113-46-7

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)

InChIKey

DHPZADPFGZNIIV-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-2-(4-chlorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 0
Patents: 280.0058 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]+	281.013076	155.8
[M+Na]+	302.995018	164.8
[M-H]-	278.998524	160.8
[M+NH4]+	298.039623	172.3
[M+K]+	318.968958	158.4
[M+H-H2O]+	263.003060	150.8
[M+HCOO]-	325.004001	167.8
[M+CH3COO]-	339.019651	195.0
[M+Na-2H]-	300.980466	158.6
[M]+	280.00525142	158.5
[M]-	280.00634858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.