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 166.3
[M+Na]+ 370.95434 180.8
[M-H]- 346.95784 169.7
[M+NH4]+ 365.99894 183.2
[M+K]+ 386.92828 167.9
[M+H-H2O]+ 330.96238 160.0
[M+HCOO]- 392.96332 176.6
[M+CH3COO]- 406.97897 207.6
[M+Na-2H]- 368.93979 169.1
[M]+ 347.96457 180.2
[M]- 347.96567 180.2
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.