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]+ 188.998076 135.3
[M+Na]+ 210.980018 146.3
[M-H]- 186.983524 135.1
[M+NH4]+ 206.024623 155.9
[M+K]+ 226.953958 140.3
[M+H-H2O]+ 170.988060 129.7
[M+HCOO]- 232.989001 145.5
[M+CH3COO]- 247.004651 148.0
[M+Na-2H]- 208.965466 140.6
[M]+ 187.99025142 135.0
[M]- 187.99134858 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

literature stripe

Patent stripe

No patent data available for this compound.