CID 5358988

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

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=CNC2=CC(=NC(=C21)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKey
ZTBYPLYMOIIANS-UHFFFAOYSA-N
Compound name
4,6-dichloro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

185.97516 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98244 131.7
[M+Na]+ 208.96438 144.9
[M-H]- 184.96788 132.3
[M+NH4]+ 204.00898 152.7
[M+K]+ 224.93832 138.4
[M+H-H2O]+ 168.97242 126.3
[M+HCOO]- 230.97336 144.9
[M+CH3COO]- 244.98901 145.6
[M+Na-2H]- 206.94983 139.1
[M]+ 185.97461 134.5
[M]- 185.97571 134.5
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

patents stripe