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

26
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 144.6
[M+Na]+ 247.02447 156.1
[M-H]- 223.02797 145.9
[M+NH4]+ 242.06907 163.6
[M+K]+ 262.99841 151.2
[M+H-H2O]+ 207.03251 138.4
[M+HCOO]- 269.03345 161.7
[M+CH3COO]- 283.04910 183.7
[M+Na-2H]- 245.00992 150.2
[M]+ 224.03470 149.1
[M]- 224.03580 149.1
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