CID 165942526

5-bromofuro[2,3-b]pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H3BrClNO3S
SMILES
C1=C2C=C(OC2=NC=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H3BrClNO3S/c8-5-1-4-2-6(14(9,11)12)13-7(4)10-3-5/h1-3H
InChIKey
DMMVJJIVUJCNKJ-UHFFFAOYSA-N
Compound name
5-bromofuro[2,3-b]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.87054 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.87782 141.6
[M+Na]+ 317.85976 159.4
[M-H]- 293.86326 150.3
[M+NH4]+ 312.90436 163.4
[M+K]+ 333.83370 148.0
[M+H-H2O]+ 277.86780 144.2
[M+HCOO]- 339.86874 155.0
[M+CH3COO]- 353.88439 189.9
[M+Na-2H]- 315.84521 150.9
[M]+ 294.86999 168.6
[M]- 294.87109 168.6
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.