CID 26695

Clioxanide

Structural Information

Molecular Formula

C₁₅H₁₀ClI₂NO₃

SMILES

CC(=O)OC1=C(C=C(C=C1I)I)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)

InChIKey

ICKMASVVMCGZLR-UHFFFAOYSA-N

Compound name

[2-[(4-chlorophenyl)carbamoyl]-4,6-diiodophenyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 1739
Patents: 540.8439 Da
Monoisotopic Mass: 4.4
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]+	541.85118	188.0
[M+Na]+	563.83312	181.9
[M-H]-	539.83662	182.0
[M+NH4]+	558.87772	192.6
[M+K]+	579.80706	189.4
[M+H-H2O]+	523.84116	175.0
[M+HCOO]-	585.84210	195.7
[M+CH3COO]-	599.85775	225.7
[M+Na-2H]-	561.81857	171.8
[M]+	540.84335	186.1
[M]-	540.84445	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe