CID 71310996

9,10-bis[(triisopropylsilyl)ethynyl]anthracene

Structural Information

Molecular Formula
C36H50Si2
SMILES
CC(C)[Si](C#CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C36H50Si2/c1-25(2)37(26(3)4,27(5)6)23-21-35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)22-24-38(28(7)8,29(9)10)30(11)12/h13-20,25-30H,1-12H3
InChIKey
FEAZNDXDTUMTIL-UHFFFAOYSA-N
Compound name
tri(propan-2-yl)-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

538.3451 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.35238 240.9
[M+Na]+ 561.33432 247.6
[M-H]- 537.33782 241.4
[M+NH4]+ 556.37892 246.1
[M+K]+ 577.30826 236.1
[M+H-H2O]+ 521.34236 225.5
[M+HCOO]- 583.34330 239.0
[M+CH3COO]- 597.35895 255.4
[M+Na-2H]- 559.31977 231.5
[M]+ 538.34455 233.6
[M]- 538.34565 233.6
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