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

2009
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 149.7
[M+Na]+ 263.00184 156.6
[M-H]- 239.00534 148.1
[M+NH4]+ 258.04644 166.4
[M+K]+ 278.97578 152.1
[M+H-H2O]+ 223.00988 144.9
[M+HCOO]- 285.01082 158.4
[M+CH3COO]- 299.02647 182.6
[M+Na-2H]- 260.98729 151.2
[M]+ 240.01207 153.2
[M]- 240.01317 153.2
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