CID 2776169

63758-12-3

Structural Information

Molecular Formula

C₈H₇ClO₄S

SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

InChIKey

JWHSRWUHRLYAPM-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 646
Patents: 233.97536 Da
Monoisotopic Mass: 1.5
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]+	234.98264	140.5
[M+Na]+	256.96458	150.4
[M-H]-	232.96808	147.0
[M+NH4]+	252.00918	158.4
[M+K]+	272.93852	149.4
[M+H-H2O]+	216.97262	136.6
[M+HCOO]-	278.97356	151.1
[M+CH3COO]-	292.98921	182.5
[M+Na-2H]-	254.95003	149.4
[M]+	233.97481	145.8
[M]-	233.97591	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe