CID 65394

Fenclofenac

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₃

SMILES

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

InChI

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

InChIKey

IDKAXRLETRCXKS-UHFFFAOYSA-N

Compound name

2-[2-(2,4-dichlorophenoxy)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 70
References: 18147
Patents: 296.0007 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]+	297.00798	158.8
[M+Na]+	318.98992	168.8
[M-H]-	294.99342	164.1
[M+NH4]+	314.03452	175.0
[M+K]+	334.96386	162.7
[M+H-H2O]+	278.99796	153.6
[M+HCOO]-	340.99890	172.0
[M+CH3COO]-	355.01455	197.3
[M+Na-2H]-	316.97537	162.1
[M]+	296.00015	163.8
[M]-	296.00125	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe