CID 12182649

3,3'-bis(trimethylsilyl)biphenyl-4,4'-diyl bis(trifluoromethanesulfonate)

Structural Information

Molecular Formula
C20H24F6O6S2Si2
SMILES
C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C20H24F6O6S2Si2/c1-35(2,3)17-11-13(7-9-15(17)31-33(27,28)19(21,22)23)14-8-10-16(18(12-14)36(4,5)6)32-34(29,30)20(24,25)26/h7-12H,1-6H3
InChIKey
FDAGZCNNWNNCEK-UHFFFAOYSA-N
Compound name
[4-[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.0457 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.05298 221.3
[M+Na]+ 617.03492 227.8
[M-H]- 593.03842 219.2
[M+NH4]+ 612.07952 225.6
[M+K]+ 633.00886 223.2
[M+H-H2O]+ 577.04296 208.5
[M+HCOO]- 639.04390 219.1
[M+CH3COO]- 653.05955 244.2
[M+Na-2H]- 615.02037 225.3
[M]+ 594.04515 221.9
[M]- 594.04625 221.9
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.