CID 384741

Nsc674991

Structural Information

Molecular Formula
C7H16O10S3Si
SMILES
C[Si](C)(C1S(=O)(=O)OCCOS1(=O)=O)OCCS(=O)(=O)O
InChI
InChI=1S/C7H16O10S3Si/c1-21(2,17-5-6-18(8,9)10)7-19(11,12)15-3-4-16-20(7,13)14/h7H,3-6H2,1-2H3,(H,8,9,10)
InChIKey
SQGGNFUJAUAEBU-UHFFFAOYSA-N
Compound name
2-[dimethyl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)silyl]oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.9675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97478 173.4
[M+Na]+ 406.95672 174.2
[M-H]- 382.96022 174.1
[M+NH4]+ 402.00132 182.9
[M+K]+ 422.93066 178.4
[M+H-H2O]+ 366.96476 168.9
[M+HCOO]- 428.96570 173.7
[M+CH3COO]- 442.98135 201.8
[M+Na-2H]- 404.94217 181.0
[M]+ 383.96695 175.3
[M]- 383.96805 175.3
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

No patent data available for this compound.