CID 122227854

2-(tert-butyldimethylsilyl)-1,3-phenylene bis(trifluoromethanesulfonate)

Structural Information

Molecular Formula
C14H18F6O6S2Si
SMILES
CC(C)(C)[Si](C)(C)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C14H18F6O6S2Si/c1-12(2,3)29(4,5)11-9(25-27(21,22)13(15,16)17)7-6-8-10(11)26-28(23,24)14(18,19)20/h6-8H,1-5H3
InChIKey
JKXZKLMJGSXONN-UHFFFAOYSA-N
Compound name
[2-[tert-butyl(dimethyl)silyl]-3-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.02182 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.02910 216.0
[M+Na]+ 511.01104 216.7
[M+NH4]+ 506.05564 214.7
[M+K]+ 526.98498 213.1
[M-H]- 487.01454 206.1
[M+Na-2H]- 508.99649 212.3
[M]+ 488.02127 213.5
[M]- 488.02237 213.5
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

No patent data available for this compound.