CID 75175994

1242069-32-4

Structural Information

Molecular Formula
C12H14BrF3O5SSi
SMILES
COC(=O)C1=CC(=C(C(=C1)Br)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H14BrF3O5SSi/c1-20-11(17)7-5-8(13)10(23(2,3)4)9(6-7)21-22(18,19)12(14,15)16/h5-6H,1-4H3
InChIKey
NFXWSYPZUPJTAK-UHFFFAOYSA-N
Compound name
methyl 3-bromo-5-(trifluoromethylsulfonyloxy)-4-trimethylsilylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.94666 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.95394 183.7
[M+Na]+ 456.93588 182.1
[M+NH4]+ 451.98048 183.3
[M+K]+ 472.90982 183.6
[M-H]- 432.93938 177.0
[M+Na-2H]- 454.92133 181.6
[M]+ 433.94611 180.6
[M]- 433.94721 180.6
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.