CID 6449029

1-ethylsulfinyl-3-allylsulfinyl-1-propene

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]+ 207.05080 142.7
[M+Na]+ 229.03274 149.2
[M-H]- 205.03624 142.5
[M+NH4]+ 224.07734 162.0
[M+K]+ 245.00668 145.0
[M+H-H2O]+ 189.04078 137.2
[M+HCOO]- 251.04172 153.3
[M+CH3COO]- 265.05737 183.4
[M+Na-2H]- 227.01819 140.6
[M]+ 206.04297 146.1
[M]- 206.04407 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.