CID 596870

2-(trimethylsilylethynyl)thiophene

Structural Information

Molecular Formula
C9H12SSi
SMILES
C[Si](C)(C)C#CC1=CC=CS1
InChI
InChI=1S/C9H12SSi/c1-11(2,3)8-6-9-5-4-7-10-9/h4-5,7H,1-3H3
InChIKey
OQUBLKNISPLGJP-UHFFFAOYSA-N
Compound name
trimethyl(2-thiophen-2-ylethynyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

180.0429 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05018 146.6
[M+Na]+ 203.03212 157.6
[M-H]- 179.03562 149.8
[M+NH4]+ 198.07672 167.7
[M+K]+ 219.00606 153.8
[M+H-H2O]+ 163.04016 135.7
[M+HCOO]- 225.04110 159.5
[M+CH3COO]- 239.05675 184.8
[M+Na-2H]- 201.01757 147.8
[M]+ 180.04235 143.3
[M]- 180.04345 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe