CID 24229282

5-chloro-1h-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CNC2=NC=C(C(=C21)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
MLXTUHYRDAIKGO-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.00395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 135.5
[M+Na]+ 218.99317 149.3
[M+NH4]+ 214.03777 143.3
[M+K]+ 234.96711 145.4
[M-H]- 194.99667 135.3
[M+Na-2H]- 216.97862 141.1
[M]+ 196.00340 137.5
[M]- 196.00450 137.5
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