CID 47002974

87474-15-5

Structural Information

Molecular Formula

C₈H₇ClO₄S

SMILES

C1COC2=C(O1)C=CC=C2S(=O)(=O)Cl

InChI

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

InChIKey

WPRMKPUAZYSFOY-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 233.97536 Da
Monoisotopic Mass: 1.7
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	143.3
[M+Na]+	256.96458	156.7
[M+NH4]+	252.00918	152.1
[M+K]+	272.93852	149.7
[M-H]-	232.96808	147.3
[M+Na-2H]-	254.95003	148.1
[M]+	233.97481	147.2
[M]-	233.97591	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe