CID 146050317

3,4,5-trihydroxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H7NO5S
SMILES
C1=C(C=C(C(=C1O)O)O)S(=O)(=O)N
InChI
InChI=1S/C6H7NO5S/c7-13(11,12)3-1-4(8)6(10)5(9)2-3/h1-2,8-10H,(H2,7,11,12)
InChIKey
PTQGCOFCDNGFNE-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.00449 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01177 139.3
[M+Na]+ 227.99371 148.3
[M+NH4]+ 223.03831 144.8
[M+K]+ 243.96765 144.8
[M-H]- 203.99721 137.8
[M+Na-2H]- 225.97916 142.0
[M]+ 205.00394 140.2
[M]- 205.00504 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.