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

22
Patents

194.02469 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 137.0
[M+Na]+ 217.01391 148.0
[M-H]- 193.01741 137.9
[M+NH4]+ 212.05851 156.9
[M+K]+ 232.98785 142.7
[M+H-H2O]+ 177.02195 130.7
[M+HCOO]- 239.02289 154.2
[M+CH3COO]- 253.03854 150.4
[M+Na-2H]- 214.99936 143.8
[M]+ 194.02414 139.4
[M]- 194.02524 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