CID 58659115

24622-15-9

Structural Information

Molecular Formula

C₄Cl₄O₂S₂

SMILES

C1(=C(SC(=C1Cl)Cl)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C4Cl4O2S2/c5-1-2(6)4(11-3(1)7)12(8,9)10

InChIKey

FFAGYAREUOPGLY-UHFFFAOYSA-N

Compound name

3,4,5-trichlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.8094 Da
Monoisotopic Mass: 4.2
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]+	284.81668	153.1
[M+Na]+	306.79862	164.8
[M-H]-	282.80212	156.0
[M+NH4]+	301.84322	172.3
[M+K]+	322.77256	159.0
[M+H-H2O]+	266.80666	152.6
[M+HCOO]-	328.80760	148.0
[M+CH3COO]-	342.82325	191.6
[M+Na-2H]-	304.78407	150.9
[M]+	283.80885	157.1
[M]-	283.80995	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe