CID 155821842

3,5-dibromopyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C5H2Br2FNO2S
SMILES
C1=C(C(=C(C=N1)Br)S(=O)(=O)F)Br
InChI
InChI=1S/C5H2Br2FNO2S/c6-3-1-9-2-4(7)5(3)12(8,10)11/h1-2H
InChIKey
JOZOEQTZVKLFET-UHFFFAOYSA-N
Compound name
3,5-dibromopyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.8157 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.82298 124.8
[M+Na]+ 339.80492 138.7
[M-H]- 315.80842 130.7
[M+NH4]+ 334.84952 143.4
[M+K]+ 355.77886 122.6
[M+H-H2O]+ 299.81296 133.1
[M+HCOO]- 361.81390 136.5
[M+CH3COO]- 375.82955 201.5
[M+Na-2H]- 337.79037 133.0
[M]+ 316.81515 160.3
[M]- 316.81625 160.3
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.