CID 146256165

6-bromo-1h-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H4BrClN2O2S
SMILES
C1=CC(=NC2=C1C(=CN2)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H4BrClN2O2S/c8-6-2-1-4-5(14(9,12)13)3-10-7(4)11-6/h1-3H,(H,10,11)
InChIKey
QPXBQFIIVNZTTR-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

293.88654 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.89382 145.1
[M+Na]+ 316.87576 149.5
[M+NH4]+ 311.92036 149.6
[M+K]+ 332.84970 149.8
[M-H]- 292.87926 143.7
[M+Na-2H]- 314.86121 147.8
[M]+ 293.88599 144.8
[M]- 293.88709 144.8
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