CID 81609

1,1'-sulfonyldiimidazole

Structural Information

Molecular Formula

C₆H₆N₄O₂S

SMILES

C1=CN(C=N1)S(=O)(=O)N2C=CN=C2

InChI

InChI=1S/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H

InChIKey

ZLKNPIVTWNMMMH-UHFFFAOYSA-N

Compound name

1-imidazol-1-ylsulfonylimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 917
Patents: 198.02115 Da
Monoisotopic Mass: -0.2
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]+	199.028426	138.9
[M+Na]+	221.010368	151.6
[M-H]-	197.013874	142.4
[M+NH4]+	216.054973	157.0
[M+K]+	236.984308	149.4
[M+H-H2O]+	181.018410	131.5
[M+HCOO]-	243.019351	158.0
[M+CH3COO]-	257.035001	176.1
[M+Na-2H]-	218.995816	143.4
[M]+	198.02060142	143.5
[M]-	198.02169858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe