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

1
Annotation Hits: 0
References: 3075
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]+	284.97652	161.9
[M+Na]+	306.95846	170.6
[M+NH4]+	302.00306	167.6
[M+K]+	322.93240	164.1
[M-H]-	282.96196	161.4
[M+Na-2H]-	304.94391	164.4
[M]+	283.96869	163.9
[M]-	283.96979	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe