CID 84720

14947-53-6

Structural Information

Molecular Formula

C₁₀H₁₈S₄

SMILES

C1CSC(SC1)CCC2SCCCS2

InChI

InChI=1S/C10H18S4/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h9-10H,1-8H2

InChIKey

RVIPSMFHRZBJRI-UHFFFAOYSA-N

Compound name

2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dithiane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 266.02914 Da
Monoisotopic Mass: 4.1
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]+	267.03642	154.1
[M+Na]+	289.01836	157.1
[M-H]-	265.02186	156.0
[M+NH4]+	284.06296	169.5
[M+K]+	304.99230	149.5
[M+H-H2O]+	249.02640	148.3
[M+HCOO]-	311.02734	149.5
[M+CH3COO]-	325.04299	161.3
[M+Na-2H]-	287.00381	152.5
[M]+	266.02859	145.0
[M]-	266.02969	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe