CID 129961435

2-bromo-5-fluoropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2BrClFNO2S
SMILES
C1=C(C=NC(=C1S(=O)(=O)Cl)Br)F
InChI
InChI=1S/C5H2BrClFNO2S/c6-5-4(12(7,10)11)1-3(8)2-9-5/h1-2H
InChIKey
FILFZSPGRPJJPM-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.8662 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.873476 131.0
[M+Na]+ 295.855418 147.1
[M-H]- 271.858924 136.3
[M+NH4]+ 290.900023 151.8
[M+K]+ 311.829358 133.8
[M+H-H2O]+ 255.863460 132.0
[M+HCOO]- 317.864401 142.4
[M+CH3COO]- 331.880051 187.5
[M+Na-2H]- 293.840866 138.4
[M]+ 272.86565142 153.1
[M]- 272.86674858 153.1
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.