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 195.6
[M+Na]+ 511.01104 202.4
[M-H]- 487.01454 190.7
[M+NH4]+ 506.05564 203.5
[M+K]+ 526.98498 198.9
[M+H-H2O]+ 471.01908 184.5
[M+HCOO]- 533.02002 194.3
[M+CH3COO]- 547.03567 225.6
[M+Na-2H]- 508.99649 200.7
[M]+ 488.02127 195.2
[M]- 488.02237 195.2
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.