CID 3247728

2,3,4-trichloro-5-iodothiophene

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4Cl3IS/c5-1-2(6)4(8)9-3(1)7

InChIKey

AUNILJJPQWWXOE-UHFFFAOYSA-N

Compound name

2,3,4-trichloro-5-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.7831 Da
Monoisotopic Mass: 4.5
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]+	312.79038	136.0
[M+Na]+	334.77232	141.8
[M-H]-	310.77582	133.0
[M+NH4]+	329.81692	154.2
[M+K]+	350.74626	141.9
[M+H-H2O]+	294.78036	130.9
[M+HCOO]-	356.78130	138.3
[M+CH3COO]-	370.79695	189.4
[M+Na-2H]-	332.75777	125.7
[M]+	311.78255	137.7
[M]-	311.78365	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe