CID 46839972

Ethyl 7-chloro-1h-pyrrolo[2,3-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CCOC(=O)C1=CC2=C(N1)C(=NC=C2)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-5-6-3-4-12-9(11)8(6)13-7/h3-5,13H,2H2,1H3
InChIKey
BBYNLXLFZMEYIO-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.03525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 144.3
[M+Na]+ 247.02447 158.3
[M+NH4]+ 242.06907 152.1
[M+K]+ 262.99841 153.6
[M-H]- 223.02797 144.5
[M+Na-2H]- 245.00992 150.0
[M]+ 224.03470 146.5
[M]- 224.03580 146.5
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