CID 12778217

2-chloro-1-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC2=C(NC=C2C(=O)CCl)N=C1
InChI
InChI=1S/C9H7ClN2O/c10-4-8(13)7-5-12-9-6(7)2-1-3-11-9/h1-3,5H,4H2,(H,11,12)
InChIKey
RGALXXOVJMEHOD-UHFFFAOYSA-N
Compound name
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

194.02469 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 137.0
[M+Na]+ 217.013908 148.0
[M-H]- 193.017414 137.9
[M+NH4]+ 212.058513 156.9
[M+K]+ 232.987848 142.7
[M+H-H2O]+ 177.021950 130.7
[M+HCOO]- 239.022891 154.2
[M+CH3COO]- 253.038541 150.4
[M+Na-2H]- 214.999356 143.8
[M]+ 194.02414142 139.4
[M]- 194.02523858 139.4
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