CID 118806306

4-bromo-2-fluoropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2BrClFNO2S
SMILES
C1=CN=C(C(=C1Br)S(=O)(=O)Cl)F
InChI
InChI=1S/C5H2BrClFNO2S/c6-3-1-2-9-5(8)4(3)12(7,10)11/h1-2H
InChIKey
LYGTXNLHGLCTGC-UHFFFAOYSA-N
Compound name
4-bromo-2-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]+ 273.87348 131.0
[M+Na]+ 295.85542 147.1
[M-H]- 271.85892 136.3
[M+NH4]+ 290.90002 151.8
[M+K]+ 311.82936 133.8
[M+H-H2O]+ 255.86346 132.0
[M+HCOO]- 317.86440 142.4
[M+CH3COO]- 331.88005 187.5
[M+Na-2H]- 293.84087 138.4
[M]+ 272.86565 153.1
[M]- 272.86675 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.