CID 19375460

2,3-diaminobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1=CC(=C(C(=C1)S(=O)(=O)N)N)N
InChI
InChI=1S/C6H9N3O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
InChIKey
XYDLQHCWLVSLIN-UHFFFAOYSA-N
Compound name
2,3-diaminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

187.04155 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 135.1
[M+Na]+ 210.030768 143.7
[M-H]- 186.034274 138.0
[M+NH4]+ 205.075373 153.8
[M+K]+ 226.004708 140.0
[M+H-H2O]+ 170.038810 129.1
[M+HCOO]- 232.039751 155.3
[M+CH3COO]- 246.055401 184.5
[M+Na-2H]- 208.016216 138.9
[M]+ 187.04100142 132.2
[M]- 187.04209858 132.2
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