CID 60150237

2-chloro-5h,6h,7h-pyrrolo[3,4-b]pyridin-5-one

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C1C2=C(C=CC(=N2)Cl)C(=O)N1
InChI
InChI=1S/C7H5ClN2O/c8-6-2-1-4-5(10-6)3-9-7(4)11/h1-2H,3H2,(H,9,11)
InChIKey
HEXPQVGOXFMHOA-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.00903 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016306 130.7
[M+Na]+ 190.998248 141.8
[M-H]- 167.001754 131.5
[M+NH4]+ 186.042853 151.8
[M+K]+ 206.972188 137.0
[M+H-H2O]+ 151.006290 124.9
[M+HCOO]- 213.007231 146.7
[M+CH3COO]- 227.022881 144.3
[M+Na-2H]- 188.983696 137.0
[M]+ 168.00848142 130.4
[M]- 168.00957858 130.4
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

patents stripe