CID 55279079

1-benzofuran-3-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₅ClO₃S

SMILES

C1=CC=C2C(=C1)C(=CO2)S(=O)(=O)Cl

InChI

InChI=1S/C8H5ClO3S/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H

InChIKey

QYDUPXNJBYSRDL-UHFFFAOYSA-N

Compound name

1-benzofuran-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 215.9648 Da
Monoisotopic Mass: 2.3
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]+	216.97208	140.1
[M+Na]+	238.95402	154.4
[M+NH4]+	233.99862	149.4
[M+K]+	254.92796	148.0
[M-H]-	214.95752	142.9
[M+Na-2H]-	236.93947	146.2
[M]+	215.96425	143.8
[M]-	215.96535	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe