CID 291557

14061-96-2

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

CC(=O)NNS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H10N2O3S/c1-7(11)9-10-14(12,13)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)

InChIKey

VQDMTENBULPUOR-UHFFFAOYSA-N

Compound name

N'-(benzenesulfonyl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 214.04121 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]+	215.04849	142.8
[M+Na]+	237.03043	149.6
[M-H]-	213.03393	146.6
[M+NH4]+	232.07503	160.9
[M+K]+	253.00437	147.1
[M+H-H2O]+	197.03847	136.4
[M+HCOO]-	259.03941	162.9
[M+CH3COO]-	273.05506	186.0
[M+Na-2H]-	235.01588	148.7
[M]+	214.04066	143.8
[M]-	214.04176	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe