CID 23273948

Benzene-1,4-disulfonamide

Structural Information

Molecular Formula
C6H8N2O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O4S2/c7-13(9,10)5-1-2-6(4-3-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChIKey
WOUBWJAJSXAOIV-UHFFFAOYSA-N
Compound name
benzene-1,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

334
Patents

235.99255 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99983 146.8
[M+Na]+ 258.98177 155.1
[M-H]- 234.98527 149.2
[M+NH4]+ 254.02637 163.3
[M+K]+ 274.95571 150.2
[M+H-H2O]+ 218.98981 140.6
[M+HCOO]- 280.99075 159.9
[M+CH3COO]- 295.00640 186.6
[M+Na-2H]- 256.96722 151.2
[M]+ 235.99200 146.6
[M]- 235.99310 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe