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 143.7
[M+Na]+ 316.92538 156.9
[M-H]- 292.92888 149.5
[M+NH4]+ 311.96998 163.7
[M+K]+ 332.89932 145.0
[M+H-H2O]+ 276.93342 143.5
[M+HCOO]- 338.93436 158.5
[M+CH3COO]- 352.95001 194.5
[M+Na-2H]- 314.91083 148.4
[M]+ 293.93561 164.9
[M]- 293.93671 164.9
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.