CID 361793

Nsc625065

Structural Information

Molecular Formula
C13H20S3Si
SMILES
C[Si](C)(C)C1(SCCCS1)SC2=CC=CC=C2
InChI
InChI=1S/C13H20S3Si/c1-17(2,3)13(14-10-7-11-15-13)16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey
KVQXXJUSYCCTNM-UHFFFAOYSA-N
Compound name
trimethyl-(2-phenylsulfanyl-1,3-dithian-2-yl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04965 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05693 162.2
[M+Na]+ 323.03887 167.3
[M-H]- 299.04237 166.1
[M+NH4]+ 318.08347 179.8
[M+K]+ 339.01281 161.0
[M+H-H2O]+ 283.04691 156.2
[M+HCOO]- 345.04785 164.5
[M+CH3COO]- 359.06350 197.1
[M+Na-2H]- 321.02432 163.7
[M]+ 300.04910 159.7
[M]- 300.05020 159.7
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.