CID 99770935

1980038-68-3

Structural Information

Molecular Formula
C9H8BrFO3S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C(=O)CBr)F
InChI
InChI=1S/C9H8BrFO3S/c1-15(13,14)9-4-6(8(12)5-10)2-3-7(9)11/h2-4H,5H2,1H3
InChIKey
YWABFWJNDPBLNL-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-fluoro-3-methylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.93616 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.94344 144.0
[M+Na]+ 316.92538 145.9
[M+NH4]+ 311.96998 147.3
[M+K]+ 332.89932 146.0
[M-H]- 292.92888 141.8
[M+Na-2H]- 314.91083 146.0
[M]+ 293.93561 142.7
[M]- 293.93671 142.7
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.