CID 44629864

847925-63-7

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 247.7
[M+Na]+ 989.08126 247.1
[M+NH4]+ 984.12586 244.5
[M+K]+ 1005.0552 243.4
[M-H]- 965.08476 241.5
[M+Na-2H]- 987.06671 245.4
[M]+ 966.09149 246.1
[M]- 966.09259 246.1
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.