CID 91619175

7-chloro-1h-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H4Cl2N2O2S
SMILES
C1=CN=C(C2=C1C(=CN2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2O2S/c8-7-6-4(1-2-10-7)5(3-11-6)14(9,12)13/h1-3,11H
InChIKey
LFPUMWIBPJUSOA-UHFFFAOYSA-N
Compound name
7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.