CID 44629864

1,3,5-tris[4-(trifluoromethanesulfonyloxy)-3-(trimethylsilyl)phenyl]benzene

Structural Information

Molecular Formula
C36H39F9O9S3Si3
SMILES
C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=CC(=C2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)C4=CC(=C(C=C4)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C36H39F9O9S3Si3/c1-58(2,3)31-19-22(10-13-28(31)52-55(46,47)34(37,38)39)25-16-26(23-11-14-29(32(20-23)59(4,5)6)53-56(48,49)35(40,41)42)18-27(17-25)24-12-15-30(33(21-24)60(7,8)9)54-57(50,51)36(43,44)45/h10-21H,1-9H3
InChIKey
ZLEUXQBUQGSSOW-UHFFFAOYSA-N
Compound name
[4-[3,5-bis[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]phenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

966.09204 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 967.09932 283.8
[M+Na]+ 989.08126 284.6
[M-H]- 965.08476 281.0
[M+NH4]+ 984.12586 266.6
[M+K]+ 1005.0552 281.7
[M+H-H2O]+ 949.08930 265.5
[M+HCOO]- 1011.0902 269.9
[M+CH3COO]- 1025.1059 295.7
[M+Na-2H]- 987.06671 294.6
[M]+ 966.09149 282.2
[M]- 966.09259 282.2
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.