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

106
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

literature stripe

Patent stripe

patents stripe