CID 5904452

Trans-1,2-bis(propylsulfonyl)ethylene

Structural Information

Molecular Formula
C8H16O4S2
SMILES
CCCS(=O)(=O)/C=C/S(=O)(=O)CCC
InChI
InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey
YTPMCWYIRHLEGM-BQYQJAHWSA-N
Compound name
1-[(E)-2-propylsulfonylethenyl]sulfonylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2266
Patents

240.049 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05628 152.1
[M+Na]+ 263.03822 159.5
[M-H]- 239.04172 152.0
[M+NH4]+ 258.08282 170.0
[M+K]+ 279.01216 155.4
[M+H-H2O]+ 223.04626 147.0
[M+HCOO]- 285.04720 162.7
[M+CH3COO]- 299.06285 185.5
[M+Na-2H]- 261.02367 154.0
[M]+ 240.04845 157.6
[M]- 240.04955 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe