CID 15530603

Tes pentacene

Structural Information

Molecular Formula
C32H30Si2
SMILES
C[Si](C)(C)C#CC1=C2C=C3C=CC=CC3=CC2=C(C4=CC5=CC=CC=C5C=C41)C#C[Si](C)(C)C
InChI
InChI=1S/C32H30Si2/c1-33(2,3)17-15-27-29-19-23-11-7-9-13-25(23)21-31(29)28(16-18-34(4,5)6)32-22-26-14-10-8-12-24(26)20-30(27)32/h7-14,19-22H,1-6H3
InChIKey
MYKQRRZJBVVBMU-UHFFFAOYSA-N
Compound name
trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

470.1886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19588 236.2
[M+Na]+ 493.17782 249.7
[M-H]- 469.18132 238.3
[M+NH4]+ 488.22242 244.6
[M+K]+ 509.15176 232.0
[M+H-H2O]+ 453.18586 219.9
[M+HCOO]- 515.18680 238.9
[M+CH3COO]- 529.20245 238.5
[M+Na-2H]- 491.16327 234.4
[M]+ 470.18805 229.4
[M]- 470.18915 229.4
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.