CID 155896209

2088828-99-1

Structural Information

Molecular Formula
C12H14BrFO2SSi
SMILES
C[Si](C)(C)C#CC1=C(C=CC(=C1)CBr)S(=O)(=O)F
InChI
InChI=1S/C12H14BrFO2SSi/c1-18(2,3)7-6-11-8-10(9-13)4-5-12(11)17(14,15)16/h4-5,8H,9H2,1-3H3
InChIKey
WFOCWDDRVBJLGX-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-(2-trimethylsilylethynyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.96512 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97240 156.1
[M+Na]+ 370.95434 158.8
[M+NH4]+ 365.99894 156.7
[M+K]+ 386.92828 155.0
[M-H]- 346.95784 147.4
[M+Na-2H]- 368.93979 155.7
[M]+ 347.96457 152.7
[M]- 347.96567 152.7
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.