CID 53738042

1-bromo-2-fluoro-3-methanesulfonylbenzene

Structural Information

Molecular Formula
C7H6BrFO2S
SMILES
CS(=O)(=O)C1=C(C(=CC=C1)Br)F
InChI
InChI=1S/C7H6BrFO2S/c1-12(10,11)6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKey
KUFSPHSKMPOPCE-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-3-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.92558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.93286 134.4
[M+Na]+ 274.91480 137.4
[M+NH4]+ 269.95940 138.8
[M+K]+ 290.88874 136.8
[M-H]- 250.91830 133.2
[M+Na-2H]- 272.90025 137.6
[M]+ 251.92503 133.7
[M]- 251.92613 133.7
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.