CID 734893

75150-40-2

Structural Information

Molecular Formula

C₈H₉ClN₂OS

SMILES

C1=CC(=CC=C1SCC(=O)NN)Cl

InChI

InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)

InChIKey

SXJWSRUPDZKESM-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfanylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 216.0124 Da
Monoisotopic Mass: 1.7
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]+	217.01968	142.7
[M+Na]+	239.00162	150.5
[M-H]-	215.00512	146.1
[M+NH4]+	234.04622	161.8
[M+K]+	254.97556	145.6
[M+H-H2O]+	199.00966	137.5
[M+HCOO]-	261.01060	158.3
[M+CH3COO]-	275.02625	187.5
[M+Na-2H]-	236.98707	145.5
[M]+	216.01185	144.1
[M]-	216.01295	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe