CID 43990

2-benzoylhydrazono-1,3-dithiolane

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS₂

SMILES

C1CSC(=NNC(=O)C2=CC=CC=C2)S1

InChI

InChI=1S/C10H10N2OS2/c13-9(8-4-2-1-3-5-8)11-12-10-14-6-7-15-10/h1-5H,6-7H2,(H,11,13)

InChIKey

SMPSKHUQMNCDEB-UHFFFAOYSA-N

Compound name

N-(1,3-dithiolan-2-ylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 23
Patents: 238.02345 Da
Monoisotopic Mass: 2.8
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]+	239.03073	150.2
[M+Na]+	261.01267	156.5
[M-H]-	237.01617	157.6
[M+NH4]+	256.05727	170.0
[M+K]+	276.98661	152.4
[M+H-H2O]+	221.02071	143.5
[M+HCOO]-	283.02165	166.0
[M+CH3COO]-	297.03730	191.2
[M+Na-2H]-	258.99812	151.5
[M]+	238.02290	149.1
[M]-	238.02400	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe