CID 51717

Eltenac

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₂S

SMILES

C1=CC(=C(C(=C1)Cl)NC2=CSC=C2CC(=O)O)Cl

InChI

InChI=1S/C12H9Cl2NO2S/c13-8-2-1-3-9(14)12(8)15-10-6-18-5-7(10)4-11(16)17/h1-3,5-6,15H,4H2,(H,16,17)

InChIKey

AELILMBZWCGOSB-UHFFFAOYSA-N

Compound name

2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 1051
Patents: 300.9731 Da
Monoisotopic Mass: 3.9
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]+	301.98038	164.3
[M+Na]+	323.96232	177.2
[M+NH4]+	319.00692	173.0
[M+K]+	339.93626	169.5
[M-H]-	299.96582	167.8
[M+Na-2H]-	321.94777	170.7
[M]+	300.97255	168.1
[M]-	300.97365	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe