CID 53412841

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

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CN=C(C2=C1NC=C2C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-7-6-4(8(12)13)3-11-5(6)1-2-10-7/h1-3,11H,(H,12,13)
InChIKey
XWYIXCSBGZIAFI-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.3
[M+Na]+ 218.99317 147.2
[M-H]- 194.99667 135.6
[M+NH4]+ 214.03777 154.7
[M+K]+ 234.96711 141.9
[M+H-H2O]+ 179.00121 129.8
[M+HCOO]- 241.00215 151.7
[M+CH3COO]- 255.01780 148.8
[M+Na-2H]- 216.97862 141.6
[M]+ 196.00340 137.4
[M]- 196.00450 137.4
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

No patent data available for this compound.