CID 4913401

115010-10-1

Structural Information

Molecular Formula

C₇H₅ClO₄S

SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C7H5ClO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

InChIKey

ICUBASIDCXDQAW-UHFFFAOYSA-N

Compound name

1,3-benzodioxole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 589
Patents: 219.9597 Da
Monoisotopic Mass: 1.6
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]+	220.96698	140.3
[M+Na]+	242.94892	152.8
[M+NH4]+	237.99352	149.0
[M+K]+	258.92286	148.0
[M-H]-	218.95242	143.5
[M+Na-2H]-	240.93437	144.1
[M]+	219.95915	143.7
[M]-	219.96025	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe