CID 14773190

5-chloro-2-iodobenzenethiol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1Cl)S)I

InChI

InChI=1S/C6H4ClIS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

OTDUWSIPYZYCSC-UHFFFAOYSA-N

Compound name

5-chloro-2-iodobenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.8767 Da
Monoisotopic Mass: 3.4
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]+	270.88398	135.1
[M+Na]+	292.86592	142.5
[M+NH4]+	287.91052	141.6
[M+K]+	308.83986	136.3
[M-H]-	268.86942	132.5
[M+Na-2H]-	290.85137	130.5
[M]+	269.87615	135.3
[M]-	269.87725	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe