CID 13441

884-49-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CS(=O)(=O)CC1NNC2=CC=CC=C2

InChI

InChI=1S/C10H14N2O2S/c13-15(14)7-6-10(8-15)12-11-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

RFTNJABYPCOMMW-UHFFFAOYSA-N

Compound name

1-(1,1-dioxothiolan-3-yl)-2-phenylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 1.2
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]+	227.08488	145.4
[M+Na]+	249.06682	152.6
[M-H]-	225.07032	152.2
[M+NH4]+	244.11142	167.0
[M+K]+	265.04076	149.1
[M+H-H2O]+	209.07486	139.5
[M+HCOO]-	271.07580	166.7
[M+CH3COO]-	285.09145	187.4
[M+Na-2H]-	247.05227	150.1
[M]+	226.07705	144.3
[M]-	226.07815	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe