CID 1501843

2-nitrobenzene-1-sulfonohydrazide

Structural Information

Molecular Formula

C₆H₇N₃O₄S

SMILES

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

InChI

InChI=1S/C6H7N3O4S/c7-8-14(12,13)6-4-2-1-3-5(6)9(10)11/h1-4,8H,7H2

InChIKey

QENBJCMCPIVGMF-UHFFFAOYSA-N

Compound name

2-nitrobenzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 278
Patents: 217.01573 Da
Monoisotopic Mass: 0.0
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]+	218.023006	137.0
[M+Na]+	240.004948	143.7
[M-H]-	216.008454	140.5
[M+NH4]+	235.049553	153.8
[M+K]+	255.978888	136.9
[M+H-H2O]+	200.012990	135.1
[M+HCOO]-	262.013931	158.6
[M+CH3COO]-	276.029581	179.8
[M+Na-2H]-	237.990396	145.4
[M]+	217.01518142	134.7
[M]-	217.01627858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe