CID 4080723

2-(dimethylphenylsilyl)-3,4,5-trichlorothiophene

Structural Information

Molecular Formula
C12H11Cl3SSi
SMILES
C[Si](C)(C1=CC=CC=C1)C2=C(C(=C(S2)Cl)Cl)Cl
InChI
InChI=1S/C12H11Cl3SSi/c1-17(2,8-6-4-3-5-7-8)12-10(14)9(13)11(15)16-12/h3-7H,1-2H3
InChIKey
DJHUGRNIWDOXOM-UHFFFAOYSA-N
Compound name
dimethyl-phenyl-(3,4,5-trichlorothiophen-2-yl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.94162 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.94890 167.8
[M+Na]+ 342.93084 179.0
[M-H]- 318.93434 173.9
[M+NH4]+ 337.97544 187.0
[M+K]+ 358.90478 171.7
[M+H-H2O]+ 302.93888 164.0
[M+HCOO]- 364.93982 171.3
[M+CH3COO]- 378.95547 200.1
[M+Na-2H]- 340.91629 166.6
[M]+ 319.94107 173.1
[M]- 319.94217 173.1
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.