CID 155859031

3-chloro-5-iodothiophene-2-carbaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(SC(=C1Cl)C=O)I

InChI

InChI=1S/C5H2ClIOS/c6-3-1-5(7)9-4(3)2-8/h1-2H

InChIKey

GKXMUVKPORDUTK-UHFFFAOYSA-N

Compound name

3-chloro-5-iodothiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.85596 Da
Monoisotopic Mass: 2.7
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]+	272.86324	134.6
[M+Na]+	294.84518	139.4
[M-H]-	270.84868	132.7
[M+NH4]+	289.88978	153.9
[M+K]+	310.81912	141.5
[M+H-H2O]+	254.85322	127.6
[M+HCOO]-	316.85416	146.8
[M+CH3COO]-	330.86981	182.3
[M+Na-2H]-	292.83063	125.2
[M]+	271.85541	136.6
[M]-	271.85651	136.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.