CID 167725757

5-[2-(trimethylsilyl)ethynyl]-1-benzothiophene-2-carbaldehyde

Structural Information

Molecular Formula
C14H14OSSi
SMILES
C[Si](C)(C)C#CC1=CC2=C(C=C1)SC(=C2)C=O
InChI
InChI=1S/C14H14OSSi/c1-17(2,3)7-6-11-4-5-14-12(8-11)9-13(10-15)16-14/h4-5,8-10H,1-3H3
InChIKey
YLJGZRFKTZCZKW-UHFFFAOYSA-N
Compound name
5-(2-trimethylsilylethynyl)-1-benzothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06075 168.7
[M+Na]+ 281.04269 182.2
[M-H]- 257.04619 172.9
[M+NH4]+ 276.08729 188.3
[M+K]+ 297.01663 175.2
[M+H-H2O]+ 241.05073 157.7
[M+HCOO]- 303.05167 181.7
[M+CH3COO]- 317.06732 198.3
[M+Na-2H]- 279.02814 169.8
[M]+ 258.05292 168.5
[M]- 258.05402 168.5
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.