CID 384743

Nsc674992

Structural Information

Molecular Formula
C18H24O10S3Si
SMILES
C[Si](C)(C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32)OCCS(=O)(=O)O
InChI
InChI=1S/C18H24O10S3Si/c1-32(2,28-12-13-29(19,20)21)18(30(22,23)26-10-11-27-31(18,24)25)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-14H2,1-2H3,(H,19,20,21)
InChIKey
RBMLRKYYLHURGD-UHFFFAOYSA-N
Compound name
2-[dimethyl-[3-(naphthalen-1-ylmethyl)-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

524.0301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.03738 212.4
[M+Na]+ 547.01932 214.0
[M-H]- 523.02282 215.9
[M+NH4]+ 542.06392 219.6
[M+K]+ 562.99326 217.4
[M+H-H2O]+ 507.02736 207.4
[M+HCOO]- 569.02830 211.4
[M+CH3COO]- 583.04395 226.3
[M+Na-2H]- 545.00477 223.6
[M]+ 524.02955 216.3
[M]- 524.03065 216.3
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.