CID 139597735

Chembl4278785

Structural Information

Molecular Formula

C₆H₅N₃O₇S

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C6H5N3O7S/c7-17(15,16)3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,(H2,7,15,16)

InChIKey

WTBOJVLMXJUMCK-UHFFFAOYSA-N

Compound name

4-hydroxy-3,5-dinitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 0
Patents: 262.98483 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.99211	154.3
[M+Na]+	285.97405	161.1
[M+NH4]+	281.01865	163.8
[M+K]+	301.94799	171.2
[M-H]-	261.97755	151.1
[M+Na-2H]-	283.95950	154.2
[M]+	262.98428	156.8
[M]-	262.98538	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.