CID 60779916

5-bromo-2-chloropyridine-3-sulfonamide

Structural Information

Molecular Formula
C5H4BrClN2O2S
SMILES
C1=C(C=NC(=C1S(=O)(=O)N)Cl)Br
InChI
InChI=1S/C5H4BrClN2O2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H,(H2,8,10,11)
InChIKey
VCJIBCGLYQFTIK-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

269.88654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.893816 133.3
[M+Na]+ 292.875758 148.2
[M-H]- 268.879264 139.1
[M+NH4]+ 287.920363 153.5
[M+K]+ 308.849698 134.5
[M+H-H2O]+ 252.883800 134.3
[M+HCOO]- 314.884741 145.7
[M+CH3COO]- 328.900391 188.9
[M+Na-2H]- 290.861206 140.6
[M]+ 269.88599142 154.5
[M]- 269.88708858 154.5
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

patents stripe