CID 24229281

1015610-47-5

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C1=CNC2=C1C(=O)C(=CN2)Cl
InChI
InChI=1S/C7H5ClN2O/c8-5-3-10-7-4(6(5)11)1-2-9-7/h1-3H,(H2,9,10,11)
InChIKey
FFIXDFLRBZWVDK-UHFFFAOYSA-N
Compound name
5-chloro-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 128.3
[M+Na]+ 190.99825 141.1
[M-H]- 167.00175 128.5
[M+NH4]+ 186.04285 149.0
[M+K]+ 206.97219 134.9
[M+H-H2O]+ 151.00629 123.0
[M+HCOO]- 213.00723 145.8
[M+CH3COO]- 227.02288 142.4
[M+Na-2H]- 188.98370 136.2
[M]+ 168.00848 129.2
[M]- 168.00958 129.2
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.