CID 44630703

Ethyl 5-chloro-1h-pyrrolo[2,3-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CCOC(=O)C1=CC2=CC(=NC=C2N1)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-3-6-4-9(11)12-5-8(6)13-7/h3-5,13H,2H2,1H3
InChIKey
ZQKMNQPQMGJIHD-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

224.03525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 144.6
[M+Na]+ 247.024468 156.1
[M-H]- 223.027974 145.9
[M+NH4]+ 242.069073 163.6
[M+K]+ 262.998408 151.2
[M+H-H2O]+ 207.032510 138.4
[M+HCOO]- 269.033451 161.7
[M+CH3COO]- 283.049101 183.7
[M+Na-2H]- 245.009916 150.2
[M]+ 224.03470142 149.1
[M]- 224.03579858 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