CID 3047250

Phenyltrithiasilatrane

Structural Information

Molecular Formula
C12H17NS3Si
SMILES
C1CS[Si]2(SCCN1CCS2)C3=CC=CC=C3
InChI
InChI=1S/C12H17NS3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2
InChIKey
BVTNXTKDACORCD-UHFFFAOYSA-N
Compound name
1-phenyl-2,8,9-trithia-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.02924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03652 114.4
[M+Na]+ 322.01846 114.5
[M-H]- 298.02196 114.4
[M+NH4]+ 317.06306 114.4
[M+K]+ 337.99240 114.5
[M+H-H2O]+ 282.02650 114.3
[M+HCOO]- 344.02744 114.4
[M+CH3COO]- 358.04309 114.4
[M+Na-2H]- 320.00391 114.3
[M]+ 299.02869 114.4
[M]- 299.02979 114.4
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.