CID 129961442

3-bromo-6-fluoropyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H2BrClFNO2S
SMILES
C1=CC(=NC(=C1Br)S(=O)(=O)Cl)F
InChI
InChI=1S/C5H2BrClFNO2S/c6-3-1-2-4(8)9-5(3)12(7,10)11/h1-2H
InChIKey
ONQALGMDOIGVDU-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoropyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.8662 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.87348 135.6
[M+Na]+ 295.85542 139.4
[M+NH4]+ 290.90002 139.8
[M+K]+ 311.82936 138.7
[M-H]- 271.85892 133.8
[M+Na-2H]- 293.84087 138.9
[M]+ 272.86565 135.1
[M]- 272.86675 135.1
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.