CID 13684924

67006-32-0

Structural Information

Molecular Formula
C7H12O5S2
SMILES
C=CS(=O)(=O)CC(CS(=O)(=O)C=C)O
InChI
InChI=1S/C7H12O5S2/c1-3-13(9,10)5-7(8)6-14(11,12)4-2/h3-4,7-8H,1-2,5-6H2
InChIKey
SOBDFTUDYRPGJY-UHFFFAOYSA-N
Compound name
1,3-bis(ethenylsulfonyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1488
Patents

240.01262 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01990 156.1
[M+Na]+ 263.00184 162.0
[M+NH4]+ 258.04644 160.2
[M+K]+ 278.97578 156.4
[M-H]- 239.00534 150.9
[M+Na-2H]- 260.98729 154.6
[M]+ 240.01207 155.9
[M]- 240.01317 155.9
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

patents stripe