CID 68935

Disulfamide

Structural Information

Molecular Formula

C₇H₉ClN₂O₄S₂

SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C7H9ClN2O4S2/c1-4-2-5(8)7(16(10,13)14)3-6(4)15(9,11)12/h2-3H,1H3,(H2,9,11,12)(H2,10,13,14)

InChIKey

RCFKEIREOSXLET-UHFFFAOYSA-N

Compound name

4-chloro-6-methylbenzene-1,3-disulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4198
Patents: 283.96924 Da
Monoisotopic Mass: 0.0
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]+	284.976516	155.9
[M+Na]+	306.958458	165.6
[M-H]-	282.961964	159.1
[M+NH4]+	302.003063	171.9
[M+K]+	322.932398	159.2
[M+H-H2O]+	266.966500	151.3
[M+HCOO]-	328.967441	164.2
[M+CH3COO]-	342.983091	195.8
[M+Na-2H]-	304.943906	158.5
[M]+	283.96869142	158.6
[M]-	283.96978858	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe