CID 69416

Ethylene dithiocyanate

Structural Information

Molecular Formula

C₄H₄N₂S₂

SMILES

C(CSC#N)SC#N

InChI

InChI=1S/C4H4N2S2/c5-3-7-1-2-8-4-6/h1-2H2

InChIKey

LILPOSVDSDEBCD-UHFFFAOYSA-N

Compound name

2-thiocyanatoethyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 253
Patents: 143.9816 Da
Monoisotopic Mass: 1.6
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]+	144.98888	145.0
[M+Na]+	166.97082	155.2
[M-H]-	142.97432	149.4
[M+NH4]+	162.01542	160.4
[M+K]+	182.94476	154.9
[M+H-H2O]+	126.97886	131.6
[M+HCOO]-	188.97980	150.9
[M+CH3COO]-	202.99545	208.6
[M+Na-2H]-	164.95627	145.7
[M]+	143.98105	140.0
[M]-	143.98215	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe