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 176.4
[M+Na]+ 456.93588 188.5
[M-H]- 432.93938 179.3
[M+NH4]+ 451.98048 191.3
[M+K]+ 472.90982 177.1
[M+H-H2O]+ 416.94392 173.9
[M+HCOO]- 478.94486 185.2
[M+CH3COO]- 492.96051 215.6
[M+Na-2H]- 454.92133 179.7
[M]+ 433.94611 197.9
[M]- 433.94721 197.9
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.