CID 43104392

(4-nitrophenyl)methanesulfonohydrazide

Structural Information

Molecular Formula

C₇H₉N₃O₄S

SMILES

C1=CC(=CC=C1CS(=O)(=O)NN)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4S/c8-9-15(13,14)5-6-1-3-7(4-2-6)10(11)12/h1-4,9H,5,8H2

InChIKey

MDHCWYWHOLSFGY-UHFFFAOYSA-N

Compound name

(4-nitrophenyl)methanesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.03137 Da
Monoisotopic Mass: -0.1
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]+	232.03865	141.8
[M+Na]+	254.02059	151.2
[M+NH4]+	249.06519	148.1
[M+K]+	269.99453	148.6
[M-H]-	230.02409	143.8
[M+Na-2H]-	252.00604	146.7
[M]+	231.03082	143.7
[M]-	231.03192	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe