CID 100912265

1092542-31-8

Structural Information

Molecular Formula
C10H12BrF3O3SSi
SMILES
C[Si](C)(C)C1=C(C(=CC=C1)Br)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H12BrF3O3SSi/c1-19(2,3)8-6-4-5-7(11)9(8)17-18(15,16)10(12,13)14/h4-6H,1-3H3
InChIKey
ZNKAHJCGEPVEBA-UHFFFAOYSA-N
Compound name
(2-bromo-6-trimethylsilylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

375.9412 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.94848 165.2
[M+Na]+ 398.93042 178.1
[M-H]- 374.93392 168.3
[M+NH4]+ 393.97502 182.6
[M+K]+ 414.90436 165.9
[M+H-H2O]+ 358.93846 163.2
[M+HCOO]- 420.93940 175.2
[M+CH3COO]- 434.95505 205.7
[M+Na-2H]- 396.91587 170.2
[M]+ 375.94065 184.6
[M]- 375.94175 184.6
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

patents stripe