CID 137964052

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

Structural Information

Molecular Formula
C7H4ClFN2O2S
SMILES
C1=CC(=NC2=C1C(=CN2)S(=O)(=O)F)Cl
InChI
InChI=1S/C7H4ClFN2O2S/c8-6-2-1-4-5(14(9,12)13)3-10-7(4)11-6/h1-3H,(H,10,11)
InChIKey
LIQQNCHHFXNFJK-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.9666 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.973876 141.7
[M+Na]+ 256.955818 155.7
[M-H]- 232.959324 142.7
[M+NH4]+ 252.000423 161.2
[M+K]+ 272.929758 149.9
[M+H-H2O]+ 216.963860 136.3
[M+HCOO]- 278.964801 153.4
[M+CH3COO]- 292.980451 180.7
[M+Na-2H]- 254.941266 147.1
[M]+ 233.96605142 146.0
[M]- 233.96714858 146.0
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.