CID 138040600

2-chlorofuran-3-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₂Cl₂O₃S

SMILES

C1=COC(=C1S(=O)(=O)Cl)Cl

InChI

InChI=1S/C4H2Cl2O3S/c5-4-3(1-2-9-4)10(6,7)8/h1-2H

InChIKey

AQDIOZPWQGEWPH-UHFFFAOYSA-N

Compound name

2-chlorofuran-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.91017 Da
Monoisotopic Mass: 2.0
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]+	200.91745	133.2
[M+Na]+	222.89939	145.4
[M-H]-	198.90289	138.5
[M+NH4]+	217.94399	155.0
[M+K]+	238.87333	142.4
[M+H-H2O]+	182.90743	131.0
[M+HCOO]-	244.90837	143.7
[M+CH3COO]-	258.92402	174.8
[M+Na-2H]-	220.88484	137.9
[M]+	199.90962	139.9
[M]-	199.91072	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.