CID 71757325

4-chloro-1h-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H4Cl2N2O2S
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)S(=O)(=O)Cl
InChI
InChI=1S/C7H4Cl2N2O2S/c8-4-1-2-10-7-6(4)5(3-11-7)14(9,12)13/h1-3H,(H,10,11)
InChIKey
HYGHMJICOVYYMK-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

249.93706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94434 149.2
[M+Na]+ 272.92628 163.5
[M+NH4]+ 267.97088 157.3
[M+K]+ 288.90022 156.7
[M-H]- 248.92978 148.9
[M+Na-2H]- 270.91173 154.5
[M]+ 249.93651 152.2
[M]- 249.93761 152.2
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.