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]+ 206.011766 137.3
[M+Na]+ 227.993708 146.5
[M-H]- 203.997214 137.4
[M+NH4]+ 223.038313 154.3
[M+K]+ 243.967648 142.8
[M+H-H2O]+ 188.001750 132.4
[M+HCOO]- 250.002691 152.9
[M+CH3COO]- 264.018341 176.1
[M+Na-2H]- 225.979156 140.7
[M]+ 205.00394142 137.1
[M]- 205.00503858 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.