CID 154814484

5-bromo-2-fluoromethanesulfonylpyridine

Structural Information

Molecular Formula
C6H5BrFNO2S
SMILES
C1=CC(=NC=C1Br)S(=O)(=O)CF
InChI
InChI=1S/C6H5BrFNO2S/c7-5-1-2-6(9-3-5)12(10,11)4-8/h1-3H,4H2
InChIKey
WGIOGDGKLLHJGZ-UHFFFAOYSA-N
Compound name
5-bromo-2-(fluoromethylsulfonyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92084 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92812 134.4
[M+Na]+ 275.91006 137.1
[M+NH4]+ 270.95466 138.3
[M+K]+ 291.88400 136.8
[M-H]- 251.91356 132.5
[M+Na-2H]- 273.89551 137.6
[M]+ 252.92029 133.4
[M]- 252.92139 133.4
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.