CID 165951223

3-bromo-5-ethynylphenyl sulfurofluoridate

Structural Information

Molecular Formula
C8H4BrFO3S
SMILES
C#CC1=CC(=CC(=C1)Br)OS(=O)(=O)F
InChI
InChI=1S/C8H4BrFO3S/c1-2-6-3-7(9)5-8(4-6)13-14(10,11)12/h1,3-5H
InChIKey
ZUVDZEIFFAOKRJ-UHFFFAOYSA-N
Compound name
1-bromo-3-ethynyl-5-fluorosulfonyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.90485 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.91213 137.5
[M+Na]+ 300.89407 141.0
[M+NH4]+ 295.93867 138.6
[M+K]+ 316.86801 137.7
[M-H]- 276.89757 129.1
[M+Na-2H]- 298.87952 138.1
[M]+ 277.90430 134.2
[M]- 277.90540 134.2
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.