CID 12203264

2-chloro-5-iodothiophene

Structural Information

Molecular Formula

SMILES

C1=C(SC(=C1)I)Cl

InChI

InChI=1S/C4H2ClIS/c5-3-1-2-4(6)7-3/h1-2H

InChIKey

IJEUNSXYUQTZPT-UHFFFAOYSA-N

Compound name

2-chloro-5-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 243.86105 Da
Monoisotopic Mass: 3.2
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]+	244.86833	127.7
[M+Na]+	266.85027	131.9
[M-H]-	242.85377	125.5
[M+NH4]+	261.89487	147.9
[M+K]+	282.82421	134.4
[M+H-H2O]+	226.85831	120.7
[M+HCOO]-	288.85925	139.8
[M+CH3COO]-	302.87490	177.6
[M+Na-2H]-	264.83572	119.3
[M]+	243.86050	128.3
[M]-	243.86160	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe