CID 71443157

4,6-dichloro-1h,2h,3h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6Cl2N2
SMILES
C1CNC2=C1C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h3H,1-2H2,(H,10,11)
InChIKey
RCSKSCCAAVNBAP-UHFFFAOYSA-N
Compound name
4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.9908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 135.3
[M+Na]+ 210.98002 146.3
[M-H]- 186.98352 135.1
[M+NH4]+ 206.02462 155.9
[M+K]+ 226.95396 140.3
[M+H-H2O]+ 170.98806 129.7
[M+HCOO]- 232.98900 145.5
[M+CH3COO]- 247.00465 148.0
[M+Na-2H]- 208.96547 140.6
[M]+ 187.99025 135.0
[M]- 187.99135 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.