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]+ 169.016306 128.3
[M+Na]+ 190.998248 141.1
[M-H]- 167.001754 128.5
[M+NH4]+ 186.042853 149.0
[M+K]+ 206.972188 134.9
[M+H-H2O]+ 151.006290 123.0
[M+HCOO]- 213.007231 145.8
[M+CH3COO]- 227.022881 142.4
[M+Na-2H]- 188.983696 136.2
[M]+ 168.00848142 129.2
[M]- 168.00957858 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.