CID 6449029

169132-66-5

Structural Information

Molecular Formula
C8H14O2S2
SMILES
CCS(=O)/C=C/CS(=O)CC=C
InChI
InChI=1S/C8H14O2S2/c1-3-6-12(10)8-5-7-11(9)4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
InChIKey
BPGNHPCNBJPIDS-FNORWQNLSA-N
Compound name
(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04352 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.050796 142.7
[M+Na]+ 229.032738 149.2
[M-H]- 205.036244 142.5
[M+NH4]+ 224.077343 162.0
[M+K]+ 245.006678 145.0
[M+H-H2O]+ 189.040780 137.2
[M+HCOO]- 251.041721 153.3
[M+CH3COO]- 265.057371 183.4
[M+Na-2H]- 227.018186 140.6
[M]+ 206.04297142 146.1
[M]- 206.04406858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.