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 132.2
[M+Na]+ 275.91006 146.3
[M-H]- 251.91356 137.0
[M+NH4]+ 270.95466 152.7
[M+K]+ 291.88400 134.5
[M+H-H2O]+ 235.91810 132.1
[M+HCOO]- 297.91904 147.6
[M+CH3COO]- 311.93469 185.6
[M+Na-2H]- 273.89551 139.9
[M]+ 252.92029 152.6
[M]- 252.92139 152.6
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.