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 137.3
[M+Na]+ 227.99371 146.5
[M-H]- 203.99721 137.4
[M+NH4]+ 223.03831 154.3
[M+K]+ 243.96765 142.8
[M+H-H2O]+ 188.00175 132.4
[M+HCOO]- 250.00269 152.9
[M+CH3COO]- 264.01834 176.1
[M+Na-2H]- 225.97916 140.7
[M]+ 205.00394 137.1
[M]- 205.00504 137.1
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.