CID 96240

585-47-7

Structural Information

Molecular Formula

C₆H₄Cl₂O₄S₂

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H

InChIKey

ALIQZUMMPOYCIS-UHFFFAOYSA-N

Compound name

benzene-1,3-disulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1358
Patents: 273.8928 Da
Monoisotopic Mass: 2.4
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]+	274.90008	148.5
[M+Na]+	296.88202	159.5
[M-H]-	272.88552	153.1
[M+NH4]+	291.92662	166.6
[M+K]+	312.85596	153.6
[M+H-H2O]+	256.89006	145.8
[M+HCOO]-	318.89100	152.3
[M+CH3COO]-	332.90665	186.2
[M+Na-2H]-	294.86747	152.9
[M]+	273.89225	154.8
[M]-	273.89335	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe