CID 246432

1,2-benzenedisulfonyl dichloride

Structural Information

Molecular Formula

C₆H₄Cl₂O₄S₂

SMILES

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

InChI

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

InChIKey

YBGQXNZTVFEKEN-UHFFFAOYSA-N

Compound name

benzene-1,2-disulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1143
Patents: 273.8928 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]+	274.90008	158.7
[M+Na]+	296.88202	170.6
[M+NH4]+	291.92662	166.0
[M+K]+	312.85596	161.8
[M-H]-	272.88552	158.1
[M+Na-2H]-	294.86747	162.9
[M]+	273.89225	161.6
[M]-	273.89335	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe