CID 6449031

1-propene, 1,3-bis(2-propenylsulfinyl)-

Structural Information

Molecular Formula
C9H14O2S2
SMILES
C=CCS(=O)C/C=C/S(=O)CC=C
InChI
InChI=1S/C9H14O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3-5,8H,1-2,6-7,9H2/b8-5+
InChIKey
WKVIKFWWTZLJCQ-VMPITWQZSA-N
Compound name
(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04352 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05080 146.0
[M+Na]+ 241.03274 152.4
[M-H]- 217.03624 145.7
[M+NH4]+ 236.07734 164.7
[M+K]+ 257.00668 147.3
[M+H-H2O]+ 201.04078 140.4
[M+HCOO]- 263.04172 156.5
[M+CH3COO]- 277.05737 185.5
[M+Na-2H]- 239.01819 143.5
[M]+ 218.04297 149.0
[M]- 218.04407 149.0
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.