CID 155858410

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

Structural Information

Molecular Formula
C7H4BrFN2O2S
SMILES
C1=CC(=NC2=C1C(=CN2)S(=O)(=O)F)Br
InChI
InChI=1S/C7H4BrFN2O2S/c8-6-2-1-4-5(14(9,12)13)3-10-7(4)11-6/h1-3H,(H,10,11)
InChIKey
JIYFIIPRSYELMT-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.91608 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.92336 143.7
[M+Na]+ 300.90530 146.4
[M+NH4]+ 295.94990 147.2
[M+K]+ 316.87924 147.6
[M-H]- 276.90880 140.9
[M+Na-2H]- 298.89075 145.5
[M]+ 277.91553 142.4
[M]- 277.91663 142.4
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.