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

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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]+ 234.97388 143.4
[M+Na]+ 256.95582 156.1
[M+NH4]+ 252.00042 150.6
[M+K]+ 272.92976 150.4
[M-H]- 232.95932 141.7
[M+Na-2H]- 254.94127 148.1
[M]+ 233.96605 145.3
[M]- 233.96715 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.