CID 75302

2297-64-5

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)NN)Br

InChI

InChI=1S/C6H7BrN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2

InChIKey

UXGNIMVLJMBZGY-UHFFFAOYSA-N

Compound name

4-bromobenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 112
Patents: 249.94116 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]+	250.94844	133.7
[M+Na]+	272.93038	145.5
[M-H]-	248.93388	139.9
[M+NH4]+	267.97498	154.1
[M+K]+	288.90432	132.9
[M+H-H2O]+	232.93842	133.0
[M+HCOO]-	294.93936	152.0
[M+CH3COO]-	308.95501	189.2
[M+Na-2H]-	270.91583	141.5
[M]+	249.94061	151.8
[M]-	249.94171	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe