CID 373421

Nsc649752

Structural Information

Molecular Formula

C₇H₁₀BrN₃O₄S₂

SMILES

CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C7H10BrN3O4S2/c1-9-17(14,15)11-10-16(12,13)7-4-2-6(8)3-5-7/h2-5,9-11H,1H3

InChIKey

XQTSZCCOCVYLNE-UHFFFAOYSA-N

Compound name

4-bromo-N'-(methylsulfamoyl)benzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 342.9296 Da
Monoisotopic Mass: 0.6
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]+	343.93688	145.8
[M+Na]+	365.91882	156.0
[M-H]-	341.92232	151.1
[M+NH4]+	360.96342	161.9
[M+K]+	381.89276	141.6
[M+H-H2O]+	325.92686	143.6
[M+HCOO]-	387.92780	158.8
[M+CH3COO]-	401.94345	204.7
[M+Na-2H]-	363.90427	155.2
[M]+	342.92905	165.0
[M]-	342.93015	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.