CID 155821947

2503207-46-1

Structural Information

Molecular Formula

C₆H₃ClO₂S₃

SMILES

C1=CSC2=C1SC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C6H3ClO2S3/c7-12(8,9)6-3-5-4(11-6)1-2-10-5/h1-3H

InChIKey

BXAJDJLURXQMQM-UHFFFAOYSA-N

Compound name

thieno[3,2-b]thiophene-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.89838 Da
Monoisotopic Mass: 3.1
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]+	238.90566	151.3
[M+Na]+	260.88760	165.6
[M-H]-	236.89110	157.4
[M+NH4]+	255.93220	175.5
[M+K]+	276.86154	159.8
[M+H-H2O]+	220.89564	149.7
[M+HCOO]-	282.89658	158.0
[M+CH3COO]-	296.91223	165.3
[M+Na-2H]-	258.87305	152.9
[M]+	237.89783	158.3
[M]-	237.89893	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe