CID 11437335

1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol

Structural Information

Molecular Formula
C7H16O7S2
SMILES
C(CS(=O)(=O)CC(CS(=O)(=O)CCO)O)O
InChI
InChI=1S/C7H16O7S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7-10H,1-6H2
InChIKey
CVFXDAXIZHJZAH-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

276.03375 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04103 157.5
[M+Na]+ 299.02297 162.1
[M-H]- 275.02647 152.5
[M+NH4]+ 294.06757 171.0
[M+K]+ 314.99691 158.1
[M+H-H2O]+ 259.03101 152.4
[M+HCOO]- 321.03195 163.3
[M+CH3COO]- 335.04760 184.0
[M+Na-2H]- 297.00842 159.0
[M]+ 276.03320 161.3
[M]- 276.03430 161.3
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