CID 24801188

3-acetyl-4-chloro-7-azaindole

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
CC(=O)C1=CNC2=NC=CC(=C12)Cl
InChI
InChI=1S/C9H7ClN2O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H,11,12)
InChIKey
UKCGIOZOYKFSGN-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 136.5
[M+Na]+ 217.01391 151.2
[M+NH4]+ 212.05851 145.1
[M+K]+ 232.98785 146.2
[M-H]- 193.01741 137.3
[M+Na-2H]- 214.99936 143.0
[M]+ 194.02414 139.1
[M]- 194.02524 139.1
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