CID 15158605

128851-98-9

Structural Information

Molecular Formula

C₈H₄Cl₂O₂S₂

SMILES

C1=CC2=C(C=C1Cl)C=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C8H4Cl2O2S2/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H

InChIKey

BABMIQVTGOYKAZ-UHFFFAOYSA-N

Compound name

5-chloro-1-benzothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 265.90298 Da
Monoisotopic Mass: 3.9
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]+	266.910256	151.0
[M+Na]+	288.892198	164.9
[M-H]-	264.895704	156.9
[M+NH4]+	283.936803	173.1
[M+K]+	304.866138	158.4
[M+H-H2O]+	248.900240	149.1
[M+HCOO]-	310.901181	157.0
[M+CH3COO]-	324.916831	164.9
[M+Na-2H]-	286.877646	154.2
[M]+	265.90243142	159.2
[M]-	265.90352858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe