CID 454748

.alpha.-t me3si cooh deriv.

Structural Information

Molecular Formula
C16H16O2S3Si
SMILES
C[Si](C)(C)C1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)O
InChI
InChI=1S/C16H16O2S3Si/c1-22(2,3)15-9-8-13(21-15)12-5-4-10(19-12)11-6-7-14(20-11)16(17)18/h4-9H,1-3H3,(H,17,18)
InChIKey
KWJRSMWTHSFYGU-UHFFFAOYSA-N
Compound name
5-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.00818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01546 186.9
[M+Na]+ 386.99740 198.6
[M-H]- 363.00090 197.0
[M+NH4]+ 382.04200 206.3
[M+K]+ 402.97134 192.7
[M+H-H2O]+ 347.00544 183.8
[M+HCOO]- 409.00638 196.6
[M+CH3COO]- 423.02203 198.6
[M+Na-2H]- 384.98285 181.8
[M]+ 364.00763 193.1
[M]- 364.00873 193.1
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

No patent data available for this compound.