CID 150636

3-vinyl-4h-1,2-dithiin

Structural Information

Molecular Formula

C₆H₈S₂

SMILES

C=CC1CC=CSS1

InChI

InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-3,5-6H,1,4H2

InChIKey

NLHCAGKOLUBCBZ-UHFFFAOYSA-N

Compound name

3-ethenyl-3,4-dihydrodithiine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 168
Patents: 144.00674 Da
Monoisotopic Mass: 2.1
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]+	145.01402	124.2
[M+Na]+	166.99596	131.5
[M-H]-	142.99946	127.5
[M+NH4]+	162.04056	146.2
[M+K]+	182.96990	128.0
[M+H-H2O]+	127.00400	119.3
[M+HCOO]-	189.00494	136.0
[M+CH3COO]-	203.02059	171.3
[M+Na-2H]-	164.98141	126.1
[M]+	144.00619	122.6
[M]-	144.00729	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe